Information card for entry 7125501

Structure parameters

• Formula: C13 H12 P2 S4
• Calculated formula: C13 H12 P2 S4
• Title of publication: Novel small organo-P-S/Se heterocycles.
• Authors of publication: Kilian, P.; Slawin, A. M.; Woollins, J. D.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2001
• Journal issue: 21
• Pages of publication: 2288 - 2289
• a: 9.8833 ± 0.0006 Å
• b: 8.837 ± 0.0005 Å
• c: 18.375 ± 0.0011 Å
• α: 90°
• β: 94.948 ± 0.001°
• γ: 90°
• Cell volume: 1598.87 ± 0.16 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0262
• Residual factor for significantly intense reflections: 0.0228
• Weighted residual factors for significantly intense reflections: 0.0582
• Weighted residual factors for all reflections included in the refinement: 0.0597
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No