Information card for entry 1545574

Structure parameters

• Formula: C11 H15 N O4
• Calculated formula: C11 H15 N O4
• SMILES: N12C(=O)OC[C@@H]1[C@]([C@@H](C2)C=C)(C)C(=O)OC
• Title of publication: Synthesis of the ABC Tricyclic System of Daphnicyclidin A.
• Authors of publication: Li, Jian Long; Shi, Hong Wei; Wang, Qi; Chai, Yong Hai; Yang, Jun
• Journal of publication: Organic letters
• Year of publication: 2017
• Journal volume: 19
• Journal issue: 7
• Pages of publication: 1497 - 1499
• a: 7.0297 ± 0.0016 Å
• b: 10.925 ± 0.003 Å
• c: 15.255 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1171.6 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0393
• Residual factor for significantly intense reflections: 0.0334
• Weighted residual factors for significantly intense reflections: 0.0757
• Weighted residual factors for all reflections included in the refinement: 0.0791
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No