Information card for entry 7228202

Structure parameters

• Common name: 234
• Chemical name: 123
• Formula: C22 H28 N2 O3
• Calculated formula: C22 H26 N2 O3
• SMILES: O[C@]12[C@@]34CC(=C)[C@@H](C[C@@H]4C(=O)[C@]42[C@H]2[C@@](C)([C@H](O)CC4)[C@@H](N(C)[C@H]2C3)C#N)C1
• Title of publication: Grandiflodines A and B, two novel diterpenoid alkaloids from Delphinium grandiflorum
• Authors of publication: Chen, Neng-Hua; Zhang, Yu-Bo; Li, Wen; Li, Pan; Chen, Li-Feng; Li, Yao-Lan; Li, Guo-Qiang; Wang, Guo-Cai
• Journal of publication: RSC Adv.
• Year of publication: 2017
• Journal volume: 7
• Journal issue: 39
• Pages of publication: 24129
• a: 9.7305 ± 0.0002 Å
• b: 8.76406 ± 0.00016 Å
• c: 11.0765 ± 0.0002 Å
• α: 90°
• β: 109.45 ± 0.002°
• γ: 90°
• Cell volume: 890.68 ± 0.03 ų
• Cell temperature: 173 ± 0.1 K
• Ambient diffraction temperature: 173 ± 0.1 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: 0.03
• Residual factor for significantly intense reflections: 0.0297
• Weighted residual factors for significantly intense reflections: 0.0837
• Weighted residual factors for all reflections included in the refinement: 0.084
• Goodness-of-fit parameter for all reflections included in the refinement: 1.111
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No