Information card for entry 2001224

Structure parameters

• Formula: C28 H16 O
• Calculated formula: C28 H14 O
• SMILES: c1ccc2c(c1)c1ccc3c(c1cc2)Oc1c3ccc2c1ccc1c2cccc1
• Title of publication: Structure of diphenanthro[1,2-<i>b</i>;2',1'-<i>d</i>]furan at 191 K
• Authors of publication: Fitzgerald, L. J.; Gerkin, R. E.; Wei, G. P.; Rawal, V. H.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1993
• Journal volume: 49
• Journal issue: 11
• Pages of publication: 1949 - 1952
• a: 6.806 ± 0.003 Å
• b: 34.693 ± 0.004 Å
• c: 7.678 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1812.9 ± 1 ų
• Cell temperature: 191 K
• Number of distinct elements: 3
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for significantly intense reflections: 0.049
• Goodness-of-fit parameter for significantly intense reflections: 1.59
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No