Information card for entry 2210853

Structure parameters

• Chemical name: (E)-3-Methylstilbene
• Formula: C15 H14
• Calculated formula: C15 H14
• SMILES: c1c(/C=C/c2ccccc2)cccc1C
• Title of publication: (<i>E</i>)-3-Methylstilbene
• Authors of publication: Gao, Ling; Peng, Hao; He, Hong-Wu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 11
• Pages of publication: o5032 - o5033
• a: 5.855 ± 0.001 Å
• b: 8.0709 ± 0.0013 Å
• c: 24.255 ± 0.004 Å
• α: 90°
• β: 91.489 ± 0.003°
• γ: 90°
• Cell volume: 1145.8 ± 0.3 ų
• Cell temperature: 292 ± 2 K
• Ambient diffraction temperature: 292 ± 2 K
• Number of distinct elements: 2
• 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: 0.1034
• Residual factor for significantly intense reflections: 0.0661
• Weighted residual factors for significantly intense reflections: 0.1663
• Weighted residual factors for all reflections included in the refinement: 0.1855
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes