Crystallography Open Database

Information card for entry 7234469

Preview

Coordinates	7234469.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C82 H102 N6 O2 Si4
Calculated formula	C82 H102 N6 O2 Si4
Title of publication	N-Heteroheptacenequinone and N-heterononacenequinone: synthesis, physical properties, crystal structures and photoelectrochemical behaviors
Authors of publication	Junbo Li; Jianwei Miao; Guankui Long; Jing Zhang; Yongxin Li; Rakesh Ganguly; Yang Zhao; Yi Liu; Bin Liu; Qichun Zhang
Journal of publication	Journal of Materials Chemistry C
Year of publication	2015
Journal volume	3
Pages of publication	9877 - 9884
a	7.9319 ± 0.0008 Å
b	14.4277 ± 0.0012 Å
c	18.4216 ± 0.0016 Å
α	110.316 ± 0.003°
β	97.166 ± 0.003°
γ	101.674 ± 0.003°
Cell volume	1892 ± 0.3 Å³
Cell temperature	103 ± 2 K
Ambient diffraction temperature	103 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1398
Residual factor for significantly intense reflections	0.0611
Weighted residual factors for significantly intense reflections	0.1056
Weighted residual factors for all reflections included in the refinement	0.1346
Goodness-of-fit parameter for all reflections included in the refinement	0.993
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
219160 (current)	2019-10-08	cif/ Adding structures of 7234468, 7234469, 7234470 via cif-deposit CGI script.	7234469.cif