Information card for entry 1548452

Structure parameters

• Formula: C30 H54 N4 O8
• Calculated formula: C30 H42 N4 O8
• SMILES: O=c1n2c([C@@H]3[C@H]4N(CCC[C@H]4C2)CCC3)ccc1[C@H]1C[C@H]2N(C(=O)C1)C[C@@H]1CCCN3[C@@H]1[C@@H]2CCC3.O.O.O.O.O.O
• Title of publication: Ochrocephalamine A, a new quinolizidine alkaloid from Oxytropis ochrocephala Bunge
• Authors of publication: Li-Na Liu; Jian-Qiang Ran; Li-Jun Li; Yu Zhao; Masuo Goto; Susan L. Morris-Natschke; Kuo-Hsiung Lee; Bao-Yu Zhao; Cheng-Jian Tan
• Journal of publication: Tetrahedron Letters
• Year of publication: 2016
• Journal volume: 57
• Pages of publication: 5047 - 5049
• a: 13.0528 ± 0.0003 Å
• b: 8.3014 ± 0.0002 Å
• c: 14.8105 ± 0.0004 Å
• α: 90°
• β: 101.605 ± 0.001°
• γ: 90°
• Cell volume: 1572.01 ± 0.07 ų
• Ambient diffraction temperature: 100 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: 0.0542
• Residual factor for significantly intense reflections: 0.0538
• Weighted residual factors for significantly intense reflections: 0.1398
• Weighted residual factors for all reflections included in the refinement: 0.1402
• Goodness-of-fit parameter for all reflections included in the refinement: 3.704
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No