Crystallography Open Database

Information card for entry 1548257

Preview

Coordinates	1548257.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H20 B2 N4
Calculated formula	C20 H20 B2 N4
Title of publication	Ambiphilic boron in 1,4,2,5-diazadiborinine
Authors of publication	Baolin Wang; Yongxin Li; Rakesh Ganguly; Hajime Hirao; Rei Kinjo
Journal of publication	Nature Communications
Year of publication	2016
Journal volume	7
Pages of publication	11871
a	28.875 ± 0.004 Å
b	8.473 ± 0.0015 Å
c	19.549 ± 0.003 Å
α	90°
β	132.202 ± 0.004°
γ	90°
Cell volume	3543 ± 1 Å³
Cell temperature	103 ± 2 K
Ambient diffraction temperature	103 ± 2 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0913
Residual factor for significantly intense reflections	0.0538
Weighted residual factors for significantly intense reflections	0.1094
Weighted residual factors for all reflections included in the refinement	0.1261
Goodness-of-fit parameter for all reflections included in the refinement	1.015
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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