Crystallography Open Database

Information card for entry 4114868

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Coordinates	4114868.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H64 N O4 P
Calculated formula	C42 H64 N O4 P
Title of publication	Conversion of Tricoordinate to Hexacoordinate Phosphorus. Formation of a Phosphorane-Phosphatrane System1
Authors of publication	Natalya V. Timosheva; A. Chandrasekaran; Roberta O. Day; Robert R. Holmes
Journal of publication	Journal of the American Chemical Society
Year of publication	2002
Journal volume	124
Pages of publication	7035 - 7040
a	13.4625 ± 0.0002 Å
b	22.5793 ± 0.0004 Å
c	13.7246 ± 0.0003 Å
α	90°
β	106.137 ± 0.0008°
γ	90°
Cell volume	4007.54 ± 0.13 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0798
Residual factor for significantly intense reflections	0.0553
Weighted residual factors for significantly intense reflections	0.1323
Weighted residual factors for all reflections included in the refinement	0.145
Goodness-of-fit parameter for all reflections included in the refinement	1.055
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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