Information card for entry 2005264

Structure parameters

• Chemical name: 1-phenyl-2-(propyl-amino)-penthane
• Formula: C14 H24 Cl N
• Calculated formula: C14 H24 Cl N
• SMILES: [Cl-].[NH2+](CCC)[C@@H](Cc1ccccc1)CCC
• Title of publication: 1-Phenyl-2-(propylamino)pentane, a Memory Enhancer
• Authors of publication: Simon, K.; Harmat, V.; Török, Z.; Böcskei, Z.; Hermecz, I.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 8
• Pages of publication: 2090 - 2092
• a: 7.665 ± 0.001 Å
• b: 14.816 ± 0.001 Å
• c: 13.237 ± 0.001 Å
• α: 90°
• β: 93.83 ± 0.001°
• γ: 90°
• Cell volume: 1499.9 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1074
• Residual factor for significantly intense reflections: 0.0528
• Weighted residual factors for all reflections: 0.1654
• Weighted residual factors for significantly intense reflections: 0.1568
• Goodness-of-fit parameter for all reflections: 1.024
• Goodness-of-fit parameter for significantly intense reflections: 1.207
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No