Crystallography Open Database

Information card for entry 4030593

Preview

Coordinates	4030593.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H37 Cl O6 S Si
Calculated formula	C26 H37 Cl O6 S Si
SMILES	Cl[C@@]1(S(=O)(=O)c2ccccc2)C(=O)C[C@@]2(C(=CC[C@H]1C2=O)OC)CO[Si](C(C)C)(C(C)C)C(C)C
Title of publication	Enantioselective Approach to Polycyclic Polyprenylated Acylphloroglucinols via Catalytic Asymmetric Intramolecular Cyclopropanation.
Authors of publication	Uetake, Yuta; Uwamori, Masahiro; Nakada, Masahisa
Journal of publication	The Journal of organic chemistry
Year of publication	2015
Journal volume	80
Journal issue	3
Pages of publication	1735 - 1745
a	8.1853 ± 0.0003 Å
b	8.4902 ± 0.0002 Å
c	10.5848 ± 0.0003 Å
α	94.6382 ± 0.0017°
β	108.843 ± 0.0017°
γ	91.7329 ± 0.0018°
Cell volume	692.65 ± 0.04 Å³
Cell temperature	173 K
Ambient diffraction temperature	173 K
Number of distinct elements	6
Space group number	1
Hermann-Mauguin space group symbol	P 1
Hall space group symbol	P 1
Residual factor for all reflections	0.0616
Residual factor for significantly intense reflections	0.0551
Weighted residual factors for significantly intense reflections	0.1406
Weighted residual factors for all reflections included in the refinement	0.1633
Goodness-of-fit parameter for all reflections included in the refinement	1.151
Diffraction radiation wavelength	1.54187 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178484 (current)	2016-03-21	cif/4/03/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/03/05.	4030593.cif
132947	2015-03-04	cif/ Updating files of 4030592, 4030593 Original log message: Adding full bibliography for 4030592--4030593.cif.	4030593.cif
130773	2015-02-04	cif/ Adding structures of 4030593 via cif-deposit CGI script.	4030593.cif