Information card for entry 2008717

Structure parameters

• Chemical name: Biphenylene
• Formula: C12 H8
• Calculated formula: C12 H8
• SMILES: c1ccc2c(c1)c1c2cccc1
• Title of publication: Redetermination of biphenylene at 130K
• Authors of publication: Boese, Roland; Bläser, Dieter; Latz, Rüdiger
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 7
• Pages of publication: IUC9900067
• a: 5.8094 ± 0.0013 Å
• b: 10.466 ± 0.003 Å
• c: 19.605 ± 0.005 Å
• α: 90°
• β: 90.998 ± 0.019°
• γ: 90°
• Cell volume: 1191.8 ± 0.5 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 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: 0.064
• Residual factor for significantly intense reflections: 0.052
• Weighted residual factors for all reflections included in the refinement: 0.149
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No