Crystallography Open Database

Information card for entry 4031323

Preview

Coordinates	4031323.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C50.67 H38.67 Cl2 N2 O2
Calculated formula	C50.6667 H38 Cl2 N2 O2
Title of publication	Dynamic Figure Eight Chirality: Multifarious Inversions of a Helical Preference Induced by Complexation.
Authors of publication	Katoono, Ryo; Tanaka, Yuki; Kusaka, Keiichi; Fujiwara, Kenshu; Suzuki, Takanori
Journal of publication	The Journal of organic chemistry
Year of publication	2015
Journal volume	80
Journal issue	15
Pages of publication	7613 - 7625
a	32.283 ± 0.006 Å
b	32.283 ± 0.006 Å
c	21.372 ± 0.004 Å
α	90°
β	90°
γ	120°
Cell volume	19290 ± 6 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	5
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for significantly intense reflections	0.1321
Weighted residual factors for all reflections included in the refinement	0.2491
Goodness-of-fit parameter for all reflections included in the refinement	1.595
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176428 (current)	2016-02-13	cif/ (antanas@kurmis) Replacing _cod_cif_authors_sg_Hall tag with _cod_original_sg_symbol_Hall tag and _cod_cif_authors_sg_H-M tag with _cod_original_sg_symbol_H-M tag in multiple entries sine the replaced tags are deprecated according to the COD CIF dictionary.	4031323.cif
154695	2015-09-06	cif/ Updating files of 4031321, 4031322, 4031323, 4031324 Original log message: Adding full bibliography for 4031321--4031324.cif.	4031323.cif
152558	2015-07-26	cif/ Adding structures of 4031323 via cif-deposit CGI script.	4031323.cif