Crystallography Open Database

Information card for entry 7702080

7702079 << 7702080 >> 7702081

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Coordinates	7702080.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H40 B N P2
Calculated formula	C22 H40 B N P2
Title of publication	PNPCB heterocycles via thermal and Lewis acid catalyzed trans-hydroborations.
Authors of publication	Fan, Louie; Stephan, Douglas W.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2016
Journal volume	45
Journal issue	22
Pages of publication	9229 - 9234
a	16.6512 ± 0.0013 Å
b	8.7599 ± 0.0005 Å
c	32.962 ± 0.002 Å
α	90°
β	97.279 ± 0.006°
γ	90°
Cell volume	4769.2 ± 0.5 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	149.71 K
Number of distinct elements	5
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	0.0806
Residual factor for significantly intense reflections	0.0445
Weighted residual factors for significantly intense reflections	0.0947
Weighted residual factors for all reflections included in the refinement	0.1124
Goodness-of-fit parameter for all reflections included in the refinement	1.0318
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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