Crystallography Open Database

Information card for entry 8104933

Preview

Coordinates	8104933.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H9 N O2
Calculated formula	C14 H9 N O2
Title of publication	The crystal structure of 5H-dibenzo[b,e]azepine-6,11-dione, C14H9NO2
Authors of publication	Wang, Li-Hua; Zhou, Xiao-Jing; Liu, Li-Li; Zhang, Ai-Ling; Tai, Xi-Shi
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2021
Journal volume	236
Journal issue	1
Pages of publication	243 - 244
a	27.19 ± 0.004 Å
b	4.3317 ± 0.0006 Å
c	17.297 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	2037.2 ± 0.5 Å³
Cell temperature	150 ± 0.1 K
Ambient diffraction temperature	150 ± 0.1 K
Number of distinct elements	4
Space group number	29
Hermann-Mauguin space group symbol	P c a 21
Hall space group symbol	P 2c -2ac
Residual factor for all reflections	0.0674
Residual factor for significantly intense reflections	0.0524
Weighted residual factors for significantly intense reflections	0.103
Weighted residual factors for all reflections included in the refinement	0.1122
Goodness-of-fit parameter for all reflections included in the refinement	1.021
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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