Information card for entry 2234712

Structure parameters

• Chemical name: [2-(1<i>H</i>-Indol-4-yl)ethyl]dipropylamine
• Formula: C16 H24 N2
• Calculated formula: C16 H24 N2
• SMILES: c12cc[nH]c1cccc2CCN(CCC)CCC
• Title of publication: [2-(1<i>H</i>-Indol-4-yl)ethyl]dipropylamine
• Authors of publication: Wang, De-Cai; Pan, Hua-Yang; Song, Jun-Song; Wei, Ping; Ou-yang, Ping-Kai
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 5
• Pages of publication: o1502
• a: 12.11 ± 0.0009 Å
• b: 15.5996 ± 0.0012 Å
• c: 16.0253 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3027.4 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1464
• Residual factor for significantly intense reflections: 0.0598
• Weighted residual factors for significantly intense reflections: 0.1007
• Weighted residual factors for all reflections included in the refinement: 0.1222
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes