Crystallography Open Database

Information card for entry 7234470

Preview

Coordinates	7234470.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
Duplicate of	7234469
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
287519 (current)	2023-11-10	cod/ (saulius@tasmanijos-velnias) Marking up COD duplicates based on automatic matching in: Path: outputs/cod-new-duplicates-expanded.tsv Name: cod-new-duplicates-expanded.tsv Working Copy Root Path: /home/saulius/struct/COD-crude-data URL: svn+ssh://www.crystallography.net/home/coder/svn-repositories/COD-crude-data/archives/2021/COD/outputs/cod-new-duplicates-expanded.tsv Relative URL: ^/archives/2021/COD/outputs/cod-new-duplicates-expanded.tsv Repository Root: svn+ssh://www.crystallography.net/home/coder/svn-repositories/COD-crude-data Repository UUID: f03e6fd5-de02-4a89-aa47-d94ad8425ebd Revision: 7431 Node Kind: file Schedule: normal Last Changed Author: saulius Last Changed Rev: 7431 Last Changed Date: 2023-11-10 16:55:42 +0200 (Fri, 10 Nov 2023) Text Last Updated: 2023-11-10 16:31:20 +0200 (Fri, 10 Nov 2023) Checksum: 0c965281867bf38581b3e32df20963a23950bd46	7234470.cif
219160	2019-10-08	cif/ Adding structures of 7234468, 7234469, 7234470 via cif-deposit CGI script.	7234470.cif