Crystallography Open Database

Information card for entry 1549636

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Coordinates	1549636.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H22 B10 N
Calculated formula	C18 H22 B10 N
Title of publication	Rhodium catalyzed cascade cyclization featuring B-H and C-H activation: one-step construction of carborane-fused N-polyheterocycles.
Authors of publication	Lyu, Hairong; Quan, Yangjian; Xie, Zuowei
Journal of publication	Chemical science
Year of publication	2018
Journal volume	9
Journal issue	30
Pages of publication	6390 - 6394
a	7.224 ± 0.0003 Å
b	24.584 ± 0.0011 Å
c	11.2382 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	1995.85 ± 0.15 Å³
Cell temperature	297 ± 2 K
Ambient diffraction temperature	297 ± 2 K
Number of distinct elements	4
Space group number	40
Hermann-Mauguin space group symbol	A m a 2
Hall space group symbol	A 2 -2a
Residual factor for all reflections	0.0542
Residual factor for significantly intense reflections	0.0496
Weighted residual factors for significantly intense reflections	0.139
Weighted residual factors for all reflections included in the refinement	0.1439
Goodness-of-fit parameter for all reflections included in the refinement	1.054
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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