Information card for entry 7107406

Structure parameters

• Formula: C18 H17 N O5
• Calculated formula: C18 H17 N O5
• SMILES: O1[C@]([C@]2(C(=C)C(=O)OC)c3c(N(C2=O)C)cccc3)(C=CC1=O)C
• Title of publication: Asymmetric assembly of 2-oxindole and a-angelica lactone units to construct vicinal quaternary chiral centers
• Authors of publication: Xin Huang; Jin Peng; Lin Dong; Ying-Chun Chen
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 2439
• a: 8.923 ± 0.005 Å
• b: 12.21 ± 0.005 Å
• c: 15.345 ± 0.005 Å
• α: 90 ± 0.005°
• β: 90 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 1671.8 ± 1.3 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 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: 0.0285
• Residual factor for significantly intense reflections: 0.0283
• Weighted residual factors for significantly intense reflections: 0.0737
• Weighted residual factors for all reflections included in the refinement: 0.074
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No