Information card for entry 4020052

Structure parameters

• Formula: C12 H16 Cl P Se
• Calculated formula: C12 H16 Cl P Se
• Authors of publication: Tsutomu Kimura; Toshiaki Murai
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2005
• Journal volume: 70
• Pages of publication: 952 - 959
• a: 9.605 ± 0.004 Å
• b: 12.504 ± 0.005 Å
• c: 12.317 ± 0.005 Å
• α: 90°
• β: 115.094 ± 0.004°
• γ: 90°
• Cell volume: 1339.7 ± 1 ų
• Cell temperature: 296.2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.0361
• Weighted residual factors for all reflections included in the refinement: 0.0979
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No