Information card for entry 2240300

Structure parameters

• Chemical name: 8-[7,8-Bis(4-chlorobenzoyl)-7<i>H</i>-cyclopenta[<i>a</i>]acenaphthylen-9-yl]\ naphthalene-1-carboxylic acid
• Formula: C40 H22 Cl2 O4
• Calculated formula: C40 H22 Cl2 O4
• SMILES: c1cc(ccc1/C(=C/1C(=C2C(=C1C(=O)c1ccc(cc1)Cl)c1cccc3cccc2c13)c1cccc2cccc(c12)C(=O)O)O)Cl
• Title of publication: Crystal structure of 8-[7,8-bis(4-chlorobenzoyl)-7<i>H</i>-cyclopenta[<i>a</i>]acenaphthylen-9-yl]naphthalene-1-carboxylic acid
• Authors of publication: Jacob, Jomon P.; Sithambaresan, M.; Kunjachan, Christy; Kurup, M. R. Prathapachandra
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 1
• Pages of publication: 38 - 41
• a: 9.1617 ± 0.0006 Å
• b: 12.5518 ± 0.0008 Å
• c: 13.9305 ± 0.0008 Å
• α: 84.669 ± 0.003°
• β: 88.468 ± 0.003°
• γ: 72.364 ± 0.003°
• Cell volume: 1520.05 ± 0.17 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0706
• Residual factor for significantly intense reflections: 0.0546
• Weighted residual factors for significantly intense reflections: 0.1323
• Weighted residual factors for all reflections included in the refinement: 0.1537
• Goodness-of-fit parameter for all reflections included in the refinement: 1.162
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes