Information card for entry 1545575

Structure parameters

• Formula: C14 H19 N O2
• Calculated formula: C14 H19 N O2
• SMILES: N12[C@H]3[C@](C=CC(=O)[C@H](C3)CC1=O)([C@@H](C2)CC)C
• 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: 6.399 ± 0.003 Å
• b: 11.401 ± 0.006 Å
• c: 8.532 ± 0.004 Å
• α: 90°
• β: 91.285 ± 0.008°
• γ: 90°
• Cell volume: 622.3 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 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: 0.0516
• Residual factor for significantly intense reflections: 0.0493
• Weighted residual factors for significantly intense reflections: 0.0967
• Weighted residual factors for all reflections included in the refinement: 0.0982
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No