Information card for entry 2004172

Structure parameters

• Formula: C16 H21 N7
• Calculated formula: C16 H21 N7
• SMILES: N#C/N=C(Nc1ccc(nc1)N)/N[C@@H]1C[C@H]2C[C@@H]1CC2.CC#N
• Title of publication: Chiral <i>N</i>-(6-Amino-3-pyridyl)-<i>N</i>'-bicycloalkyl-<i>N</i>''-cyanoguanidine Derivative: a Novel Potassium-Channel Opener
• Authors of publication: Saito, H.; Eda, M.; Sugio, S.; Ueda, Y.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1995
• Journal volume: 51
• Journal issue: 11
• Pages of publication: 2331 - 2333
• a: 10.427 ± 0.001 Å
• b: 7.197 ± 0.001 Å
• c: 11.805 ± 0.001 Å
• α: 90°
• β: 99.755 ± 0.008°
• γ: 90°
• Cell volume: 873.08 ± 0.17 ų
• Cell temperature: 296 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for significantly intense reflections: 0.071
• Goodness-of-fit parameter for significantly intense reflections: 1.45
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No