Information card for entry 2004286

Structure parameters

• Formula: C14 H23 N2 O P S5
• Calculated formula: C14.5 H23 N2 O P S5
• Title of publication: Novel Six- and Eight-Membered Heterocycles. A Trithiadiazaphosphorinane and a Pentathiadiazaphosphocine
• Authors of publication: Bottle, S. E.; Bott, R. C.; Smith, G.; Wermuth, U. D.; Kennard, C. H. L.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1995
• Journal volume: 51
• Journal issue: 12
• Pages of publication: 2633 - 2637
• a: 9.836 ± 0.009 Å
• b: 14.01 ± 0.01 Å
• c: 15.733 ± 0.008 Å
• α: 96.89 ± 0.05°
• β: 91.95 ± 0.05°
• γ: 107.7 ± 0.04°
• Cell volume: 2045 ± 3 ų
• Cell temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0475
• Weighted residual factors for all reflections: 0.1306
• Goodness-of-fit parameter for all reflections: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No