Information card for entry 2004545

Structure parameters

• Common name: 1,4-benzoquinonebis(1,2-diphenylethyleneketal)
• Chemical name: 1,4,9,12-Tetraoxa-2,3,10,11-tetraphenyldispiro[4.2.4.2]tetradeca-6,13-diene
• Formula: C34 H28 O4
• Calculated formula: C34 H28 O4
• SMILES: c1ccc(cc1)[C@@H]1OC2(O[C@H]1c1ccccc1)C=CC1(C=C2)O[C@H]([C@@H](O1)c1ccccc1)c1ccccc1
• Title of publication: 2,3,10,11-Tetraphenyl-1,4,9,12-tetraoxadispiro[4.2.4.2]tetradeca-6,13-diene
• Authors of publication: Hibbs, D. E.; Hursthouse, M. B.; Malik, K. M. A.; Ward, R. S.; Pelter, A.; Aalberg, L.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 2
• Pages of publication: 379 - 381
• a: 9.691 ± 0.002 Å
• b: 9.691 ± 0.002 Å
• c: 24.841 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 2020.4 ± 0.8 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140 ± 2 K
• Number of distinct elements: 3
• Space group number: 154
• Hermann-Mauguin space group symbol: P 32 2 1
• Hall space group symbol: P 32 2"
• Residual factor for all reflections: 0.0442
• Residual factor for significantly intense reflections: 0.0309
• Weighted residual factors for all reflections: 0.0629
• Weighted residual factors for significantly intense reflections: 0.061
• Goodness-of-fit parameter for all reflections: 0.892
• Goodness-of-fit parameter for significantly intense reflections: 0.982
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No