Crystallography Open Database

Information card for entry 1546089

Preview

Coordinates	1546089.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C52.5 H47 B Cl F2 N3 O8
Calculated formula	C52.5 H47 B Cl F2 N3 O8
Title of publication	Synthesis, Properties, and Semiconducting Characteristics of BF2 Complexes of β,β-Bisphenanthrene-Fused Azadipyrromethenes.
Authors of publication	Sheng, Wanle; Zheng, Yu-Qing; Wu, Qinghua; Wu, Yayang; Yu, Changjiang; Jiao, Lijuan; Hao, Erhong; Wang, Jie-Yu; Pei, Jian
Journal of publication	Organic letters
Year of publication	2017
Journal volume	19
Journal issue	11
Pages of publication	2893 - 2896
a	12.926 ± 0.008 Å
b	11.204 ± 0.007 Å
c	19.694 ± 0.009 Å
α	90°
β	123 ± 0.03°
γ	90°
Cell volume	2392 ± 3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
Space group number	13
Hermann-Mauguin space group symbol	P 1 2/c 1
Hall space group symbol	-P 2yc
Residual factor for all reflections	0.2169
Residual factor for significantly intense reflections	0.0996
Weighted residual factors for significantly intense reflections	0.2177
Weighted residual factors for all reflections included in the refinement	0.273
Goodness-of-fit parameter for all reflections included in the refinement	1.021
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
197512 (current)	2017-06-05	cif/ Updating files of 1546088, 1546089 Original log message: Adding full bibliography for 1546088--1546089.cif.	1546089.cif
196836	2017-05-23	cif/ Adding structures of 1546089 via cif-deposit CGI script.	1546089.cif