Information card for entry 2014315

Structure parameters

• Chemical name: 1-(1H-Indol-3-ylcarbonyl)-N-(4-methoxybenzyl)formamide
• Formula: C18 H16 N2 O3
• Calculated formula: C18 H16 N2 O3
• SMILES: [nH]1cc(c2ccccc12)C(=O)C(=O)NCc1ccc(OC)cc1
• Title of publication: 1-(1<i>H</i>-Indol-3-ylcarbonyl)-<i>N</i>-(4-methoxybenzyl)formamide
• Authors of publication: Sonar, Vijayakumar N.; Parkin, Sean; Crooks, Peter A.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 3
• Pages of publication: o153 - o154
• a: 4.9402 ± 0.0002 Å
• b: 5.6847 ± 0.0003 Å
• c: 25.9862 ± 0.0013 Å
• α: 90°
• β: 94.495 ± 0.002°
• γ: 90°
• Cell volume: 727.54 ± 0.06 ų
• Cell temperature: 90 ± 0.2 K
• Ambient diffraction temperature: 90 ± 0.2 K
• Number of distinct elements: 4
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 n 1
• Hall space group symbol: P -2yac
• Residual factor for all reflections: 0.0602
• Residual factor for significantly intense reflections: 0.0392
• Weighted residual factors for significantly intense reflections: 0.0827
• Weighted residual factors for all reflections included in the refinement: 0.0909
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No