Crystallography Open Database

Information card for entry 8104838

Preview

Coordinates	8104838.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H12 B Br N2
Calculated formula	C16 H12 B Br N2
Title of publication	The crystal structre of 2-(4-bromophenyl)-2,3-dihydro-1H-naphtho[1,8-de][1,3,2]diazaborinine, C16H12BBrN2
Authors of publication	Ding, Siyi; Zhu, Min; Miao, Zong-Cheng
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2021
Journal volume	236
Journal issue	2
Pages of publication	383 - 384
a	4.7061 ± 0.0003 Å
b	10.4639 ± 0.0006 Å
c	13.5675 ± 0.0008 Å
α	90°
β	97.512 ± 0.002°
γ	90°
Cell volume	662.39 ± 0.07 Å³
Cell temperature	190 K
Ambient diffraction temperature	189.98 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0385
Residual factor for significantly intense reflections	0.0384
Weighted residual factors for significantly intense reflections	0.0994
Weighted residual factors for all reflections included in the refinement	0.0995
Goodness-of-fit parameter for all reflections included in the refinement	1.085
Diffraction radiation wavelength	1.34139 Å
Diffraction radiation type	GaKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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