Crystallography Open Database

Information card for entry 1517789

Preview

Coordinates	1517789.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C51 H54 O6
Calculated formula	C51 H54 O6
Title of publication	Biphen[n]arenes
Authors of publication	Chen, Huanqing; Fan, Jiazeng; Hu, Xiaoshi; Ma, Junwei; Wang, Shilu; Li, Jian; Yu, Yihua; Jia, Xueshun; Li, Chunju
Journal of publication	Chem. Sci.
Year of publication	2015
Journal volume	6
Journal issue	1
Pages of publication	197
a	13.7149 ± 0.0012 Å
b	15.9855 ± 0.0013 Å
c	20.8687 ± 0.0017 Å
α	103.455 ± 0.001°
β	105.879 ± 0.001°
γ	93.251 ± 0.002°
Cell volume	4244.3 ± 0.6 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 2 K
Number of distinct elements	3
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1063
Residual factor for significantly intense reflections	0.0557
Weighted residual factors for significantly intense reflections	0.1635
Weighted residual factors for all reflections included in the refinement	0.2363
Goodness-of-fit parameter for all reflections included in the refinement	0.972
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
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1517789.cif
130980	2015-02-04	cif/ Updating files of 1517789, 1517790 Original log message: Adding full bibliography for 1517789--1517790.cif.	1517789.cif
123958	2014-09-18	cif/ Adding structures of 1517789, 1517790 via cif-deposit CGI script.	1517789.cif