Crystallography Open Database

Information card for entry 4024197

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Structure parameters

Formula	C11 H16 N O5 P
Calculated formula	C11 H16 N O5 P
SMILES	C(=O)(CP(=O)(OC)OC)Nc1ccc(cc1)OC
Title of publication	Dialkoxyphosphinyl-Substituted Enols of Carboxamides
Authors of publication	Jinhua Song; Hiroshi Yamataka; Zvi Rappoport
Journal of publication	Journal of Organic Chemistry
Year of publication	2007
Journal volume	72
Pages of publication	7605 - 7624
a	11.7792 ± 0.0007 Å
b	13.4173 ± 0.0009 Å
c	8.3445 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	1318.81 ± 0.14 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 2 K
Number of distinct elements	5
Space group number	29
Hermann-Mauguin space group symbol	P c a 21
Hall space group symbol	P 2c -2ac
Residual factor for all reflections	0.1041
Residual factor for significantly intense reflections	0.0534
Weighted residual factors for significantly intense reflections	0.056
Weighted residual factors for all reflections included in the refinement	0.0649
Goodness-of-fit parameter for all reflections included in the refinement	0.854
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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