Crystallography Open Database

Information card for entry 4132577

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Coordinates	4132577.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H31 B N2
Calculated formula	C15 H31 B N2
Title of publication	A Room-Temperature-Stable Phosphanorcaradiene.
Authors of publication	Liu, Liu Leo; Zhou, Jiliang; Andrews, Ryan; Stephan, Douglas W.
Journal of publication	Journal of the American Chemical Society
Year of publication	2018
Journal volume	140
Journal issue	24
Pages of publication	7466 - 7470
a	19.068 ± 0.002 Å
b	21.572 ± 0.003 Å
c	8.1409 ± 0.0009 Å
α	90°
β	90°
γ	90°
Cell volume	3348.6 ± 0.7 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150.15 K
Number of distinct elements	4
Space group number	43
Hermann-Mauguin space group symbol	F d d 2
Hall space group symbol	F 2 -2d
Residual factor for all reflections	0.0713
Residual factor for significantly intense reflections	0.0441
Weighted residual factors for significantly intense reflections	0.0931
Weighted residual factors for all reflections included in the refinement	0.1055
Goodness-of-fit parameter for all reflections included in the refinement	1.05
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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