Crystallography Open Database

Information card for entry 8106942

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Coordinates	8106942.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	1,1'-diformyl-4,4'-(6<i>H</i>,12<i>H</i>-5,11-methano- dibenzo[<i>b</i>,<i>f</i>][<i>1</i>1,<i>5</i>]diazocine-2,8-diyl)dibenzene
Formula	C29 H22 N2 O2
Calculated formula	C29 H22 N2 O2
Title of publication	Crystal structure of 1,1′-diformyl-4,4′-(6H,12H-5,11-methano-dibenzo[b,f][11,5]diazocine-2,8-diyl)dibenzene, C29H22N2O2
Authors of publication	Qiu, Feng; Wan, Yu; Huang, Shu-ying; Zhou, Qiu-ju; Cui, Hao; Chu, Yan-huan; Zhou, Sheng-Liang; Han, Xiang-en; Wu, Hui
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2016
Journal volume	231
Journal issue	2
Pages of publication	569 - 572
a	22.4995 ± 0.0006 Å
b	9.937 ± 0.0003 Å
c	21.6466 ± 0.0006 Å
α	90°
β	115.941 ± 0.001°
γ	90°
Cell volume	4352.1 ± 0.2 Å³
Cell temperature	296.2 K
Ambient diffraction temperature	296.15 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0764
Residual factor for significantly intense reflections	0.0437
Weighted residual factors for significantly intense reflections	0.1012
Weighted residual factors for all reflections included in the refinement	0.1213
Goodness-of-fit parameter for all reflections included in the refinement	1.008
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
281993 (current)	2023-03-23	cif/ Adding structures of 8106942 via cif-deposit CGI script.	8106942.cif