Information card for entry 2240081

Structure parameters

• Chemical name: (4-Chlorophenyl)[2-(10-hydroxyphenanthren-9-yl)phenanthro[9,10-<i>b</i>]furan-3-yl]methanone
• Formula: C37 H21 Cl O3
• Calculated formula: C37 H21 Cl O3
• SMILES: c1cc(ccc1C(=O)c1c2c3ccccc3c3ccccc3c2oc1c1c2ccccc2c2ccccc2c1O)Cl
• Title of publication: Crystal structure of (4-chlorophenyl)[2-(10-hydroxyphenanthren-9-yl)phenanthro[9,10-<i>b</i>]furan-3-yl]methanone
• Authors of publication: Sajitha, L. U.; Sithambaresan, M.; Jacob, Jomon P.; Kurup, M. R. Prathapachandra
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 11
• Pages of publication: 355 - 358
• a: 11.6682 ± 0.0012 Å
• b: 13.4448 ± 0.0015 Å
• c: 17.071 ± 0.002 Å
• α: 90°
• β: 93.091 ± 0.005°
• γ: 90°
• Cell volume: 2674.1 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0764
• Residual factor for significantly intense reflections: 0.0464
• Weighted residual factors for significantly intense reflections: 0.1218
• Weighted residual factors for all reflections included in the refinement: 0.147
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes