Crystallography Open Database

Information card for entry 1502857

Preview

Coordinates	1502857.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22.375 H30.375 Cl1.125 N O5 P
Calculated formula	C22.38 H30.375 Cl1.125 N O5 P
Title of publication	Cobalt(II)-catalyzed intramolecular C-H amination with phosphoryl azides: formation of 6- and 7-membered cyclophosphoramidates.
Authors of publication	Lu, Hongjian; Tao, Jingran; Jones, Jess E.; Wojtas, Lukasz; Zhang, X. Peter
Journal of publication	Organic letters
Year of publication	2010
Journal volume	12
Journal issue	6
Pages of publication	1248 - 1251
a	17.2209 ± 0.0002 Å
b	11.0759 ± 0.0002 Å
c	25.2187 ± 0.0004 Å
α	90°
β	90.108 ± 0.001°
γ	90°
Cell volume	4810.13 ± 0.13 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0447
Residual factor for significantly intense reflections	0.0412
Weighted residual factors for significantly intense reflections	0.1075
Weighted residual factors for all reflections included in the refinement	0.1096
Goodness-of-fit parameter for all reflections included in the refinement	1.08
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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