Information card for entry 2004481

Structure parameters

• Formula: C63 H56 Cl3 O4.5 S
• Calculated formula: C63 H55 Cl3 O4.5 S
• Title of publication: A 5,18:9,14-Di-<i>o</i>-benzeno-6,17:7,16:8,15-trimethanobenzo[1'',2'':3,4;4'',5'':3',4']dicyclobuta[1,2-<i>b</i>:1',2'-<i>b</i>']dianthracene Derivative
• Authors of publication: Parvez, M.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 2
• Pages of publication: 444 - 447
• a: 28.103 ± 0.004 Å
• b: 18.37 ± 0.003 Å
• c: 23.755 ± 0.006 Å
• α: 90°
• β: 123.58 ± 0.01°
• γ: 90°
• Cell volume: 10217 ± 4 ų
• Cell temperature: 293 ± 1 K
• Number of distinct elements: 5
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for significantly intense reflections: 0.098
• Weighted residual factors for significantly intense reflections: 0.112
• Goodness-of-fit parameter for significantly intense reflections: 3.42
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No