Crystallography Open Database

Information card for entry 1552858

Preview

Coordinates	1552858.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C66 H54 Cl6 N4 O10
Calculated formula	C66 H54 Cl6 N4 O10
Title of publication	Synthesis and stereochemistry of helical polyurethanes based on 2,2′-dihydroxy-1,1′-binaphthyl and diisocyanatobenzenes
Authors of publication	Dai, Heshuang; Shichibu, Yukatsu; Imai, Yoshitane; Hara, Nobuyuki; Konishi, Katsuaki; Wang, Yue; Song, Zhiyi; Nakano, Tamaki
Journal of publication	Polymer Chemistry
Year of publication	2020
Journal volume	11
Journal issue	6
Pages of publication	1134 - 1144
a	10.8204 ± 0.0012 Å
b	35.106 ± 0.004 Å
c	8.2849 ± 0.0009 Å
α	90°
β	110.005 ± 0.001°
γ	90°
Cell volume	2957.2 ± 0.6 Å³
Cell temperature	90 ± 2 K
Ambient diffraction temperature	90 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0773
Residual factor for significantly intense reflections	0.05
Weighted residual factors for significantly intense reflections	0.1352
Weighted residual factors for all reflections included in the refinement	0.1565
Goodness-of-fit parameter for all reflections included in the refinement	1.011
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
257940 (current)	2020-10-06	cif/ Updating files of 1552858 Original log message: Adding full bibliography for 1552858.cif.	1552858.cif
249057	2020-03-05	cif/ Updating files of 1552858 Original log message: Adding full bibliography for 1552858.cif.	1552858.cif
227647	2019-11-12	cif/ Adding structures of 1552858 via cif-deposit CGI script.	1552858.cif