Information card for entry 2001909

Structure parameters

• Formula: C40 H36
• Calculated formula: C40 H36
• SMILES: C1(=C(Cc2ccccc2)C(=C(Cc2ccccc2)C1Cc1ccccc1)Cc1ccccc1)Cc1ccccc1
• Title of publication: Structure of pentabenzylcyclopentadiene
• Authors of publication: Schumann, H.; Görlitz, F. H.; Esser, L.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1993
• Journal volume: 49
• Journal issue: 3
• Pages of publication: 598 - 600
• a: 35.499 ± 0.009 Å
• b: 10.289 ± 0.002 Å
• c: 8.275 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3022.4 ± 1.5 ų
• Cell temperature: 293 ± 5 K
• Number of distinct elements: 2
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for significantly intense reflections: 0.058
• Weighted residual factors for significantly intense reflections: 0.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No