Information card for entry 2234977

Structure parameters

• Chemical name: 9-Phenyl-4,5-diaza-9<i>H</i>-fluoren-9-ol monohydrate
• Formula: C17 H14 N2 O2
• Calculated formula: C17 H14 N2 O2
• SMILES: OC1(c2c(nccc2)c2ncccc12)c1ccccc1.O
• Title of publication: 9-Phenyl-4,5-diaza-9<i>H</i>-fluoren-9-ol monohydrate
• Authors of publication: Yin, Guo-Jie; Yang, Gang-Bin; Wang, Shi-Min
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 6
• Pages of publication: o1817
• a: 8.8703 ± 0.0013 Å
• b: 9.1691 ± 0.0018 Å
• c: 18.643 ± 0.003 Å
• α: 86.745 ± 0.014°
• β: 86.943 ± 0.012°
• γ: 67.798 ± 0.016°
• Cell volume: 1400.8 ± 0.4 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 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: 0.0675
• Residual factor for significantly intense reflections: 0.0517
• Weighted residual factors for significantly intense reflections: 0.136
• Weighted residual factors for all reflections included in the refinement: 0.1514
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes