Information card for entry 2200727

Structure parameters

• Common name: styrene
• Chemical name: styrene
• Formula: C8 H8
• Calculated formula: C8 H8
• SMILES: c1(ccccc1)C=C
• Title of publication: Styrene at 83K
• Authors of publication: Nobuhiro Yasuda; Hidehiro Uekusa; Yuji Ohashi
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 12
• Pages of publication: o1189 - o1190
• a: 15.6757 ± 0.0012 Å
• b: 10.4805 ± 0.0008 Å
• c: 7.5277 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1236.72 ± 0.17 ų
• Cell temperature: 83 ± 2 K
• Ambient diffraction temperature: 83 ± 2 K
• Number of distinct elements: 2
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0433
• Residual factor for significantly intense reflections: 0.0388
• Weighted residual factors for all reflections included in the refinement: 0.0986
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes