Crystallography Open Database

Information card for entry 4504932

Preview

Coordinates	4504932.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C35 H26 N2 O4
Calculated formula	C35 H26 N2 O4
SMILES	c1cc(ccc1C1(c2ccccc2c2c1cccc2)c1ccc(cc1)O)O.n1(=O)ccc(cc1)c1ccn(=O)cc1
Title of publication	Crystal Engineering Based on Polymeric Hydrogen-Bonded Supramolecules by Self-Assembling of 4,4‘-(9-Fluorenylidene)diphenol and 4,4‘-Cyclohexylidenebisphenol with Bipyridines
Authors of publication	Zeng, Qingdao; Wu, Dongxia; Liu, Caiming; Ma, Hongwei; Lu, Jun; Xu, Shandong; Li, Yan; Wang, Chen; Bai, Chunli
Journal of publication	Crystal Growth & Design
Year of publication	2005
Journal volume	5
Journal issue	3
Pages of publication	1041
a	18.988 ± 0.004 Å
b	13.295 ± 0.003 Å
c	11.009 ± 0.002 Å
α	90°
β	105.97 ± 0.03°
γ	90°
Cell volume	2671.9 ± 1 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0765
Residual factor for significantly intense reflections	0.0442
Weighted residual factors for significantly intense reflections	0.1018
Weighted residual factors for all reflections included in the refinement	0.1112
Goodness-of-fit parameter for all reflections included in the refinement	1.03
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179584 (current)	2016-03-24	cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/49.	4504932.cif
120110	2014-07-12	Adding DOIs to range 4/50 structures.	4504932.cif
50056	2012-03-31	../uploads/cif-deposit/cod/cif Adding structures of 4504932 via cif-deposit CGI script.	4504932.cif