Information card for entry 2200248

Structure parameters

• Chemical name: 3-Phenylpyrrolo[2,3-b]tropone
• Formula: C15 H11 N O
• Calculated formula: C15 H11 N O
• SMILES: [nH]1c2c(=O)ccccc2c(c1)c1ccccc1
• Title of publication: 3-Phenylpyrrolo[2,3-<i>b</i>]tropone
• Authors of publication: Kubo, Kanji; Tsujimoto, Teppei; Mori, Akira
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 3
• Pages of publication: o225 - o227
• a: 14.2145 ± 0.001 Å
• b: 7.7681 ± 0.0005 Å
• c: 10.3928 ± 0.0006 Å
• α: 90°
• β: 101.98 ± 0.005°
• γ: 90°
• Cell volume: 1122.58 ± 0.13 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.074
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for all reflections included in the refinement: 0.116
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes