Crystallography Open Database

Information card for entry 7120073

7120072 << 7120073 >> 7120074

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Structure parameters

Formula	C27 H19 F5 N P S
Calculated formula	C27 H19 F5 N P S
SMILES	S=P1(N(c2c(F)c(F)c(F)c(F)c2F)c2c(c3c1cc(cc3)C)ccc(c2)C)c1cc(ccc1)C
Title of publication	Efficient Synthesis of Cyclic P-Stereogenic Phosphinamides from Acyclic Chiral Precursors via Radical Oxidative Intramolecular Aryl C–H Phosphinamidation
Authors of publication	Chen, Yuan-Hui; Xu, Xu-Long; Han, Fu-She
Journal of publication	Chem. Commun.
Year of publication	2017
a	16.8922 ± 0.0004 Å
b	14.6238 ± 0.0003 Å
c	10.6886 ± 0.0002 Å
α	90°
β	108.676 ± 0.001°
γ	90°
Cell volume	2501.35 ± 0.09 Å³
Cell temperature	190 ± 2 K
Ambient diffraction temperature	190 ± 2 K
Number of distinct elements	6
Space group number	5
Hermann-Mauguin space group symbol	C 1 2 1
Hall space group symbol	C 2y
Residual factor for all reflections	0.0452
Residual factor for significantly intense reflections	0.0409
Weighted residual factors for significantly intense reflections	0.1045
Weighted residual factors for all reflections included in the refinement	0.1074
Goodness-of-fit parameter for all reflections included in the refinement	1.058
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301860 (current)	2025-08-22	Add cross-references to PubChem compounds in COD range 7/12/ Each referenced PubChem compound corresponds to the full crystal structure.	7120073.cif
196205	2017-05-05	cif/ Adding structures of 7120073, 7120074 via cif-deposit CGI script.	7120073.cif