Information card for entry 1545966

Structure parameters

• Formula: C16 H17 N O4
• Calculated formula: C16 H17 N O4
• SMILES: N1(C(=O)OCc2ccccc2)C[C@H]([C@H]2C(=O)OC[C@@H]12)C=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: 10.666 ± 0.009 Å
• b: 6.294 ± 0.005 Å
• c: 11.33 ± 0.009 Å
• α: 90°
• β: 109.47 ± 0.011°
• γ: 90°
• Cell volume: 717.1 ± 1 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0508
• Residual factor for significantly intense reflections: 0.0432
• Weighted residual factors for significantly intense reflections: 0.1304
• Weighted residual factors for all reflections included in the refinement: 0.1399
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No