Information card for entry 2201912

Structure parameters

• Formula: C20 H22 N2 O
• Calculated formula: C20 H22 N2 O
• SMILES: O=C1Nc2c(C\1=N/c1ccc(cc1)CCCCCC)cccc2
• Title of publication: (3<i>E</i>)-3-[(4-Hexylphenyl)imino]1<i>H</i>-indol-2(3<i>H</i>)-one
• Authors of publication: Sema Öztürk; Mehmet Akkurt; Mahmure Üstün Özgür; Ayşe Erçağ; Frank W. Heinemann
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 4
• Pages of publication: o569 - o571
• a: 17.1506 ± 0.0002 Å
• b: 9.6464 ± 0.0002 Å
• c: 10.4167 ± 0.0002 Å
• α: 90°
• β: 99.693 ± 0.002°
• γ: 90°
• Cell volume: 1698.75 ± 0.05 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0946
• Residual factor for significantly intense reflections: 0.0497
• Weighted residual factors for significantly intense reflections: 0.1089
• Weighted residual factors for all reflections included in the refinement: 0.1318
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No