Information card for entry 2226359

Structure parameters

• Chemical name: 3-(7,8,13,14-Tetrahydrodibenzo[<i>a</i>,<i>i</i>]phenanthridin-5-yl)benzene- 1,2-diol
• Formula: C27 H21 N O2
• Calculated formula: C27 H21 N O2
• SMILES: c12CCc3ccccc3c1c1CCc3ccccc3c1c(c1c(c(ccc1)O)O)n2
• Title of publication: 3-(7,8,13,14-Tetrahydrodibenzo[<i>a</i>,<i>i</i>]phenanthridin-5-yl)benzene-1,2-diol
• Authors of publication: Karthikeyan, N. S.; Ramachandran, G.; Sathiyanarayanan, K.; Raghavaiah, P.; Rathore, R. S.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 7
• Pages of publication: o1753
• a: 11.4002 ± 0.001 Å
• b: 10.2254 ± 0.0007 Å
• c: 17.3674 ± 0.0016 Å
• α: 90°
• β: 106.188 ± 0.01°
• γ: 90°
• Cell volume: 1944.3 ± 0.3 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 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: 0.0939
• Residual factor for significantly intense reflections: 0.0419
• Weighted residual factors for significantly intense reflections: 0.0806
• Weighted residual factors for all reflections included in the refinement: 0.0917
• Goodness-of-fit parameter for all reflections included in the refinement: 0.858
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes