Crystallography Open Database

Information card for entry 7109273

Preview

Coordinates	7109273.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27.33 H26.33 Cl N2 O2 P4
Calculated formula	C27 H26 N2 O2 P4
SMILES	P12P3P(P13)C12N(C(=O)c2ccccc2C(=O)N1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C
Title of publication	Exploring the reactivity of white phosphorus with electrophilic carbenes: synthesis of a P4 cage and P8 clusters
Authors of publication	Caleb D. Martin; Cory M. Weinstein; Curtis E. Moore; Arnold L. Rheingold; Guy Bertrand
Journal of publication	Chem.Commun.
Year of publication	2013
Journal volume	49
Pages of publication	4486
a	34.4341 ± 0.001 Å
b	34.4341 ± 0.001 Å
c	11.4555 ± 0.0004 Å
α	90°
β	90°
γ	120°
Cell volume	11763.1 ± 0.6 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for all reflections	0.109
Residual factor for significantly intense reflections	0.0645
Weighted residual factors for significantly intense reflections	0.1355
Weighted residual factors for all reflections included in the refinement	0.1495
Goodness-of-fit parameter for all reflections included in the refinement	1.077
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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