Crystallography Open Database

Information card for entry 4028750

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Coordinates	4028750.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H36 N3 O6 P
Calculated formula	C19 H36 N3 O6 P
Title of publication	Unexpected Insertion of CO2 into the Pentacoordinate P-N Bond: Atherton-Todd-Type Reaction of Hydrospirophosphorane with Amines
Authors of publication	Shuxia Cao; Peng Gao; Yanchun Guo; Huamin Zhao; Jun Wang; Yifan Liu; Yufen Zhao
Journal of publication	Journal of Organic Chemistry
Year of publication	2013
Journal volume	78
Pages of publication	11283 - 11293
a	10.02685 ± 0.00016 Å
b	10.35683 ± 0.00016 Å
c	23.9983 ± 0.0005 Å
α	90°
β	97.9548 ± 0.0018°
γ	90°
Cell volume	2468.16 ± 0.08 Å³
Cell temperature	291 ± 2 K
Ambient diffraction temperature	291.15 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0585
Residual factor for significantly intense reflections	0.0529
Weighted residual factors for significantly intense reflections	0.1452
Weighted residual factors for all reflections included in the refinement	0.152
Goodness-of-fit parameter for all reflections included in the refinement	1.033
Diffraction radiation wavelength	1.5418 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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