Information card for entry 2200630

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 120K
• Authors of publication: Bond, Andrew D.; Davies, John E.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 12
• Pages of publication: o1191 - o1193
• a: 15.6898 ± 0.0006 Å
• b: 10.5854 ± 0.0004 Å
• c: 7.5745 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1257.99 ± 0.08 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0505
• Residual factor for significantly intense reflections: 0.0376
• Weighted residual factors for all reflections included in the refinement: 0.1004
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes