Information card for entry 1546220

Structure parameters

• Formula: C11 H19 N O3
• Calculated formula: C11 H19 N O3
• SMILES: O=C[C@@]1(CCCC([C@H]1CN(=O)=O)(C)C)C
• Title of publication: Enantio- and Stereoselective Construction of Atisane Scaffold via Organocatalytic Intramolecular Michael Reaction and Diels-Alder Reaction.
• Authors of publication: Sekita, Hiroko; Adachi, Kyohei; Kobayashi, Ippei; Sato, Yusuke; Nakada, Masahisa
• Journal of publication: Organic letters
• Year of publication: 2017
• Journal volume: 19
• Journal issue: 9
• Pages of publication: 2390 - 2393
• a: 7.784 ± 0.0002 Å
• b: 9.7886 ± 0.0003 Å
• c: 14.7958 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1127.36 ± 0.06 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 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: 0.0508
• Residual factor for significantly intense reflections: 0.0477
• Weighted residual factors for significantly intense reflections: 0.1197
• Weighted residual factors for all reflections included in the refinement: 0.1262
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No