Information card for entry 2202253

Structure parameters

• Chemical name: 1-phenyl-5-(3-indolyl)-pent-4-ene-1,3-dione
• Formula: C19 H15 N O2
• Calculated formula: C19 H15 N O2
• SMILES: O=C(c1ccccc1)/C=C(O)/C=C/c1c2ccccc2[nH]c1
• Title of publication: 5-(1<i>H</i>-Indol-3-yl)-1-phenylpent-4-ene-1,3-dione
• Authors of publication: Arrieta, Antonio F.; Mostad, Arvid
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 4
• Pages of publication: o524 - o526
• a: 7.6712 ± 0.0015 Å
• b: 5.6251 ± 0.0011 Å
• c: 32.773 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1414.2 ± 0.5 ų
• Cell temperature: 105 ± 2 K
• Ambient diffraction temperature: 105 ± 2 K
• Number of distinct elements: 4
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.052
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for significantly intense reflections: 0.081
• Weighted residual factors for all reflections included in the refinement: 0.097
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes