Information card for entry 1531316

Structure parameters

• Chemical name: 2,4-diphenyl-9H-carbazol-3-ol
• Formula: C24 H17 N O
• Calculated formula: C24 H17 N O
• SMILES: c1(c(O)c(cc2c1c1ccccc1[nH]2)c1ccccc1)c1ccccc1
• Title of publication: Construction of highly functionalized carbazoles via condensation of an enolate to a nitro group
• Authors of publication: Poudel, Tej Narayan; Lee, Yong Rok
• Journal of publication: Chem. Sci.
• Year of publication: 2015
• Journal volume: 6
• Journal issue: 12
• Pages of publication: 7028
• a: 12.9997 ± 0.001 Å
• b: 21.3361 ± 0.0015 Å
• c: 13.502 ± 0.001 Å
• α: 90°
• β: 106.398 ± 0.002°
• γ: 90°
• Cell volume: 3592.6 ± 0.5 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.1063
• Residual factor for significantly intense reflections: 0.0484
• Weighted residual factors for significantly intense reflections: 0.0942
• Weighted residual factors for all reflections included in the refinement: 0.1209
• Goodness-of-fit parameter for all reflections included in the refinement: 0.906
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No