Information card for entry 2234501

Structure parameters

• Common name: 6,7,8,14,15,16-Hexaphenyldibenzo[<i>c</i>,<i>gh</i>]naphtho[3,2,1,8- <i>pqra</i>]tetraphene-5,13-dione dichloromethane monosolvate
• Chemical name: 6,7,8,14,15,16-Hexaphenyldibenzo[<i>c</i>,<i>gh</i>]naphtho[3,2,1,8- <i>pqra</i>]tetraphene-5,13-dione dichloromethane monosolvate
• Formula: C67 H40 Cl2 O2
• Calculated formula: C67 H40 Cl2 O2
• SMILES: O=C1c2c(c3ccccc3)c(c3ccccc3)c(c3c2c2c4c1c1ccccc1c1c4c(C(=O)c2c2c3cccc2)c(c(c1c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1.ClCCl
• Title of publication: 6,7,8,14,15,16-Hexaphenyldibenzo[<i>c</i>,<i>gh</i>]naphtho[3,2,1,8-<i>pqra</i>]tetraphene-5,13-dione dichloromethane monosolvate
• Authors of publication: Li, Shuhong; Chen, Limin; Xu, Caihong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 5
• Pages of publication: o1284
• a: 12.587 ± 0.003 Å
• b: 13.466 ± 0.003 Å
• c: 15.872 ± 0.003 Å
• α: 91.82 ± 0.03°
• β: 107.75 ± 0.03°
• γ: 112.2 ± 0.03°
• Cell volume: 2339.1 ± 1.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1343
• Residual factor for significantly intense reflections: 0.0868
• Weighted residual factors for significantly intense reflections: 0.1351
• Weighted residual factors for all reflections included in the refinement: 0.1475
• Goodness-of-fit parameter for all reflections included in the refinement: 1.255
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes