Crystallography Open Database

Information card for entry 7234468

Preview

Coordinates	7234468.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C70 H92 N4 O2 Si4
Calculated formula	C70 H92 N4 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	10.1577 ± 0.0004 Å
b	10.6488 ± 0.0004 Å
c	17.1688 ± 0.0006 Å
α	84.169 ± 0.002°
β	88.405 ± 0.002°
γ	63.987 ± 0.002°
Cell volume	1660.04 ± 0.11 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	0.1538
Residual factor for significantly intense reflections	0.0772
Weighted residual factors for significantly intense reflections	0.1969
Weighted residual factors for all reflections included in the refinement	0.2499
Goodness-of-fit parameter for all reflections included in the refinement	1.04
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.	7234468.cif