Information card for entry 2208707

Structure parameters

• Chemical name: 3,4-Dimethyl-1-phenylphosphole
• Formula: C12 H13 P
• Calculated formula: C12 H13 P
• SMILES: p1(cc(C)c(C)c1)c1ccccc1
• Title of publication: 3,4-Dimethyl-1-phenylphosphole
• Authors of publication: Scheibitz, Matthias; Lerner, Hans-Wolfram; Bolte, Michael
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 4
• Pages of publication: o1476 - o1477
• a: 5.9662 ± 0.0007 Å
• b: 7.9654 ± 0.0009 Å
• c: 22.227 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1056.3 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0645
• Residual factor for significantly intense reflections: 0.0517
• Weighted residual factors for significantly intense reflections: 0.1112
• Weighted residual factors for all reflections included in the refinement: 0.1178
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes