Crystallography Open Database

Information card for entry 2018636

2018635 << 2018636 >> 2018637

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Structure parameters

Chemical name	Tetranaphthyleno[5,6-<i>bcd</i>:11,12-<i>b</i>'<i>c</i>'<i>d</i>':17,18- <i>b</i>''<i>c</i>''<i>d</i>'':23,24- <i>b</i>'''<i>c</i>'''<i>d</i>''']tetrafuran
Formula	C40 H16 O4
Calculated formula	C40 H16 O4
SMILES	c1ccc2c(c1)c1oc3c4c1c1c2oc2c1c1c5c6c4c(c4c3cccc4)oc6c3c(c5oc1c1c2cccc1)cccc3
Title of publication	Tetranaphthyleno[5,6-<i>bcd</i>:11,12-<i>b</i>'<i>c</i>'<i>d</i>':17,18-<i>b</i>''<i>c</i>''<i>d</i>'':23,24-<i>b</i>'''<i>c</i>'''<i>d</i>''']tetrafuran
Authors of publication	Fouad, Farid; Bunge, Scott D.; Ellman, Brett D.; Twieg, Robert J.
Journal of publication	Acta Crystallographica Section C
Year of publication	2012
Journal volume	68
Journal issue	11
Pages of publication	o465 - o467
a	15.592 ± 0.003 Å
b	4.3936 ± 0.0008 Å
c	17.713 ± 0.003 Å
α	90°
β	100.746 ± 0.003°
γ	90°
Cell volume	1192.1 ± 0.4 Å³
Cell temperature	187 ± 2 K
Ambient diffraction temperature	187 ± 2 K
Number of distinct elements	3
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0738
Residual factor for significantly intense reflections	0.0415
Weighted residual factors for significantly intense reflections	0.0883
Weighted residual factors for all reflections included in the refinement	0.1055
Goodness-of-fit parameter for all reflections included in the refinement	0.97
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

Version history

Revision	Date	Message	Files
180855 (current)	2016-04-02	cif/2/01/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01/86.	2018636.cif 2018636.hkl
176760	2016-02-20	cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01.	2018636.cif 2018636.hkl
125873	2014-10-25	cod/ (saulius@koala.ibt.lt) Adding DOIs to 1887 Acta Cryst. CIFs, their DOIs fetched using ACCE codes.	2018636.cif 2018636.hkl
88064	2013-08-29	Adding _cod_database_fobs_code data item to all COD CIFs that have Fobs deposited and did not have this data item yet.	2018636.cif 2018636.hkl
74188	2013-02-22	hkl/ Adding the rest of the Fobs data for the structures publishe din the IUCr journals in 2012 and in January of 2013.	2018636.cif 2018636.hkl
69771	2012-12-21	cif/ Adding structures of 2018636 via cif-deposit CGI script.	2018636.cif