Crystallography Open Database

Information card for entry 4505701

Preview

Coordinates	4505701.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	2,2'-bis(9-hydroxy-9-fluorenyl)biphenyl, chloroform
Formula	C39 H27 Cl3 O2
Calculated formula	C39 H27 Cl3 O2
Title of publication	Crystal Structure, Thermal Decomposition Behavior, and Order−Disorder Transition of the Guest Component of Concomitant Pseudodimorphic Clathrates between 2,2‘-Bis(9-hydroxy-9-fluorenyl)biphenyl Host and Chloroform Guest
Authors of publication	Sumarna, Omay; Seidel, Jürgen; Weber, Edwin; Seichter, Wilhelm; Ibragimov, Bakhtiyar T.; Beketov, Kayrat M.
Journal of publication	Crystal Growth & Design
Year of publication	2003
Journal volume	3
Journal issue	4
Pages of publication	541
a	29.977 ± 0.007 Å
b	10.782 ± 0.001 Å
c	19.184 ± 0.003 Å
α	90°
β	92.81 ± 0.02°
γ	90°
Cell volume	6193 ± 1.8 Å³
Cell temperature	183 ± 2 K
Ambient diffraction temperature	183 ± 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	0.1316
Residual factor for significantly intense reflections	0.0725
Weighted residual factors for significantly intense reflections	0.1852
Weighted residual factors for all reflections included in the refinement	0.2067
Goodness-of-fit parameter for all reflections included in the refinement	1.031
Diffraction radiation wavelength	1.5418 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179593 (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 4/50/57.	4505701.cif
120110	2014-07-12	Adding DOIs to range 4/50 structures.	4505701.cif
53703	2012-04-20	cif/ Adding structures of 4505701, 4505702 via cif-deposit CGI script.	4505701.cif