Information card for entry 8106127

Structure parameters

• Formula: C20 H34 N4 O
• Calculated formula: C20 H34 N4 O
• SMILES: [C@H]1(CC(=O)N2[C@@H]([C@@H]3[C@H]4N(CCC3)CCC[C@H]4C2)C1)N1CCN(CC1)C
• Title of publication: The crystal structure of a matrine derivative: 41 S,7aS,12S,13aR,13bR)-12-(4-methylpiperazin-1-yl)dodecahydro-1H,5H,10H-dipyrido[2,1-f:3′,2′,1′-ij][1,6]naphthyridin-10-one, C20H34N4O
• Authors of publication: Cheng, Xing-An; Zhan-Mei, Liu; Bo, Wu; Su-Qing, Huang; Xia-Ling, Xiong; Xu-Hong, Jiang
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2018
• Journal volume: 233
• Journal issue: 2
• Pages of publication: 283 - 285
• a: 7.8545 ± 0.0006 Å
• b: 10.8802 ± 0.0009 Å
• c: 12.3714 ± 0.0009 Å
• α: 73.2 ± 0.007°
• β: 75.372 ± 0.006°
• γ: 71.091 ± 0.007°
• Cell volume: 942.65 ± 0.14 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0598
• Residual factor for significantly intense reflections: 0.0591
• Weighted residual factors for significantly intense reflections: 0.1632
• Weighted residual factors for all reflections included in the refinement: 0.1641
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No