Crystallography Open Database

Information card for entry 4335407

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Coordinates	4335407.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C9 H20 P2 S3
Calculated formula	C9 H20 P2 S3
Title of publication	Chalcogenation of the 1,4-C2P4 Ring: Oxidation, Isomerization, Insertion, and Ring Contraction
Authors of publication	Philip J. W. Elder; Tristram Chivers
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	7791 - 7804
a	9.382 ± 0.0004 Å
b	7.878 ± 0.0008 Å
c	19.202 ± 0.0015 Å
α	90°
β	90°
γ	90°
Cell volume	1419.25 ± 0.19 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	4
Space group number	64
Hermann-Mauguin space group symbol	C m c a
Hall space group symbol	-C 2ac 2
Residual factor for all reflections	0.05
Residual factor for significantly intense reflections	0.0455
Weighted residual factors for significantly intense reflections	0.1312
Weighted residual factors for all reflections included in the refinement	0.1351
Goodness-of-fit parameter for all reflections included in the refinement	1.348
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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