Crystallography Open Database

Information card for entry 1572822

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Coordinates	1572822.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16.5 H32 B12 Br3 Cl3 F3 N2 P S
Calculated formula	C16 H31 B12 Br3 Cl2 F3 N2 P S
Title of publication	N=N Bond Cleavage in Diazirines by a Cyclic Diborane(4) Compound
Authors of publication	Zhong, Minling; Zhang, Jie; Xie, Zuowei
Journal of publication	Chemical Science
Year of publication	2024
a	16.7138 ± 0.0019 Å
b	35.995 ± 0.004 Å
c	13.3816 ± 0.0016 Å
α	90°
β	118.474 ± 0.003°
γ	90°
Cell volume	7076.7 ± 1.4 Å³
Cell temperature	245 ± 2 K
Ambient diffraction temperature	245 ± 2 K
Number of distinct elements	9
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	0.1698
Residual factor for significantly intense reflections	0.084
Weighted residual factors for significantly intense reflections	0.2148
Weighted residual factors for all reflections included in the refinement	0.2568
Goodness-of-fit parameter for all reflections included in the refinement	1.044
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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