Crystallography Open Database

Information card for entry 4021954

4021953 << 4021954 >> 4021955

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Coordinates	4021954.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C104 H98 Cl24 O15 P4
Calculated formula	C104 H98 Cl24 O15 P4
Title of publication	Trimesitylmethylphosphonium Cation. Supramolecular Stereocontrol and Simple Enantiomerization Mechanism Determination
Authors of publication	Benoît Laleu; Gérald Bernardinelli; Remi Chauvin; Jérôme Lacour
Journal of publication	Journal of Organic Chemistry
Year of publication	2006
Journal volume	71
Pages of publication	7412 - 7416
a	12.3799 ± 0.0005 Å
b	24.2382 ± 0.0012 Å
c	21.2644 ± 0.001 Å
α	90°
β	101.707 ± 0.005°
γ	90°
Cell volume	6248 ± 0.5 Å³
Cell temperature	200 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for significantly intense reflections	0.044
Weighted residual factors for all reflections included in the refinement	0.042
Goodness-of-fit parameter for all reflections included in the refinement	1.28
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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