Crystallography Open Database

Information card for entry 4118858

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Coordinates	4118858.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H30 B2 N4
Calculated formula	C24 H30 B2 N4
Title of publication	Asymmetric Rhodium-Directed anti-Markovnikov Regioselective Boracyclopentannulation
Authors of publication	Momar Toure; Olivier Chuzel; Jean-Luc Parrain
Journal of publication	Journal of the American Chemical Society
Year of publication	2012
Journal volume	134
Pages of publication	17892 - 17895
a	7.4048 ± 0.0002 Å
b	17.3672 ± 0.0004 Å
c	17.951 ± 0.0006 Å
α	90°
β	95.847 ± 0.001°
γ	90°
Cell volume	2296.5 ± 0.11 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.1564
Residual factor for significantly intense reflections	0.0933
Weighted residual factors for significantly intense reflections	0.2348
Weighted residual factors for all reflections included in the refinement	0.2742
Goodness-of-fit parameter for all reflections included in the refinement	1.076
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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