Crystallography Open Database

Information card for entry 4036207

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Structure parameters

Formula	C19 H25 O4 P
Calculated formula	C19 H25 O4 P
SMILES	C12(CC3CC(CC(C1)C3)C2)O[P@@H](=O)c1ccc(cc1)C(=O)OCC
Title of publication	H-adamantylphosphinates as universal precursors of P-stereogenic compounds.
Authors of publication	Gatineau, David; Nguyen, Duc Hanh; Hérault, Damien; Vanthuyne, Nicolas; Leclaire, Julien; Giordano, Laurent; Buono, Gérard
Journal of publication	The Journal of organic chemistry
Year of publication	2015
Journal volume	80
Journal issue	8
Pages of publication	4132 - 4141
a	6.6376 ± 0.0002 Å
b	9.3332 ± 0.0003 Å
c	29.571 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	1831.92 ± 0.1 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.1735
Residual factor for significantly intense reflections	0.0531
Weighted residual factors for significantly intense reflections	0.1055
Weighted residual factors for all reflections included in the refinement	0.1326
Goodness-of-fit parameter for all reflections included in the refinement	0.886
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
301828 (current)	2025-08-20	Add cross-references to PubChem compounds in COD range 4/03/ Each referenced PubChem compound corresponds to the full crystal structure.	4036207.cif
234390	2019-11-23	cif/ Adding structures of 4036203, 4036204, 4036205, 4036206, 4036207 via cif-deposit CGI script.	4036207.cif