Information card for entry 2200864

Structure parameters

• Common name: α-methylstyrene
• Chemical name: isopropenylbenzene
• Formula: C9 H10
• Calculated formula: C9 H10
• SMILES: c1(ccccc1)C(=C)C
• Title of publication: α-Methylstyrene
• Authors of publication: Bond, Andrew D.; Davies, John E.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 3
• Pages of publication: o331 - o333
• a: 5.795 ± 0.001 Å
• b: 7.829 ± 0.001 Å
• c: 15.82 ± 0.001 Å
• α: 90°
• β: 93.23 ± 0.01°
• γ: 90°
• Cell volume: 716.6 ± 0.16 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 2
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1054
• Residual factor for significantly intense reflections: 0.0846
• Weighted residual factors for significantly intense reflections: 0.2271
• Weighted residual factors for all reflections included in the refinement: 0.2499
• Goodness-of-fit parameter for all reflections included in the refinement: 1.148
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes