Crystallography Open Database

Information card for entry 8104730

Preview

Coordinates	8104730.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H17 B N2 O2
Calculated formula	C18 H17 B N2 O2
Title of publication	The crystal structure of 2-(3,4-dimethoxyphenyl)-2,3-dihydro-1H-naphtho [1,8-de][1,3,2]diazaborinine, C18H17BN2O2
Authors of publication	Ma, Qiang; Miao, Zong-Cheng
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2021
Journal volume	236
Journal issue	4
Pages of publication	845 - 846
a	12.5782 ± 0.0014 Å
b	13.6724 ± 0.0014 Å
c	8.7113 ± 0.0009 Å
α	90°
β	97.819 ± 0.006°
γ	90°
Cell volume	1484.2 ± 0.3 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 K
Number of distinct elements	5
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	0.0619
Residual factor for significantly intense reflections	0.0482
Weighted residual factors for significantly intense reflections	0.1277
Weighted residual factors for all reflections included in the refinement	0.1357
Goodness-of-fit parameter for all reflections included in the refinement	1.076
Diffraction radiation wavelength	1.34139 Å
Diffraction radiation type	GaKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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