Crystallography Open Database

Information card for entry 7124273

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Structure parameters

Formula	C40 H36 B2 N6
Calculated formula	C40 H36 B2 N6
Title of publication	Bicyclic (amino)(borata)carbene derived from diazadiborinine and isonitrile
Authors of publication	Wang, Baolin; Koshino, Kota; Kinjo, Rei
Journal of publication	Chemical Communications
Year of publication	2019
a	11.299 ± 0.0018 Å
b	11.6148 ± 0.0018 Å
c	25.321 ± 0.004 Å
α	90°
β	102.163 ± 0.004°
γ	90°
Cell volume	3248.4 ± 0.9 Å³
Cell temperature	103 ± 2 K
Ambient diffraction temperature	103 ± 2 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	0.1141
Residual factor for significantly intense reflections	0.0709
Weighted residual factors for significantly intense reflections	0.1362
Weighted residual factors for all reflections included in the refinement	0.1516
Goodness-of-fit parameter for all reflections included in the refinement	1.13
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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