Information card for entry 7245606

Structure parameters

• Formula: C15 H24 N2 O2
• Calculated formula: C15 H24 N2 O2
• SMILES: O[C@]12CCCN[C@@H]2[C@@H]2[C@@H]3N(C1=O)CCC[C@@H]3CCC2.O=C1N2[C@H]3[C@@H](CCC2)CCC[C@H]3[C@@H]2NCCC[C@]12O
• Title of publication: Scalemic myrionsumamide A, tetracyclic skeleton alkaloids from Myrioneuron effusum
• Authors of publication: Zhang, Jia-Hui; Cao, Mingming; Zhang, Yu; Li, Xiao-Hui; Gu, Yu-Cheng; Li, Xiao-Nian; Di, Ying-Tong; Hao, Xiao-Jiang
• Journal of publication: RSC Advances
• Year of publication: 2022
• Journal volume: 12
• Journal issue: 43
• Pages of publication: 28147 - 28151
• a: 10.0436 ± 0.0005 Å
• b: 11.4268 ± 0.0006 Å
• c: 12.7535 ± 0.0006 Å
• α: 92.782 ± 0.001°
• β: 96.893 ± 0.001°
• γ: 108.438 ± 0.001°
• Cell volume: 1372.67 ± 0.12 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0747
• Residual factor for significantly intense reflections: 0.0744
• Weighted residual factors for significantly intense reflections: 0.2159
• Weighted residual factors for all reflections included in the refinement: 0.2165
• Goodness-of-fit parameter for all reflections included in the refinement: 1.107
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No