Crystallography Open Database

Information card for entry 4122676

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Coordinates	4122676.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C43 H22 Cl3 O4 P
Calculated formula	C43 H22 Cl3 O4 P
Title of publication	Phosphorus-Containing Chiral Molecule for Fullerene Recognition Based on Concave/Convex Interaction.
Authors of publication	Yamamura, Masaki; Saito, Tsuyoshi; Nabeshima, Tatsuya
Journal of publication	Journal of the American Chemical Society
Year of publication	2014
Journal volume	136
Journal issue	40
Pages of publication	14299
a	79.378 ± 0.007 Å
b	12.2996 ± 0.001 Å
c	31.089 ± 0.003 Å
α	90°
β	112.633 ± 0.002°
γ	90°
Cell volume	28015 ± 4 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	5
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	0.1447
Residual factor for significantly intense reflections	0.0928
Weighted residual factors for significantly intense reflections	0.1934
Weighted residual factors for all reflections included in the refinement	0.2144
Goodness-of-fit parameter for all reflections included in the refinement	1.122
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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