Information card for entry 4034310

Structure parameters

• Formula: C11 H13 N O3
• Calculated formula: C11 H13 N O3
• SMILES: O1C[C@]23N(C(=O)CC[C@@H]2CC=CC3)C1=O
• Title of publication: Formal Syntheses of (-)-Lepadiformines A, C, and (-)-Fasicularin.
• Authors of publication: Takashima, Katsuki; Hayakawa, Daichi; Gouda, Hiroaki; Toyooka, Naoki
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2019
• Journal volume: 84
• Journal issue: 9
• Pages of publication: 5222 - 5229
• a: 7.35354 ± 0.00015 Å
• b: 5.87211 ± 0.00011 Å
• c: 11.1184 ± 0.0002 Å
• α: 90°
• β: 95.496 ± 0.007°
• γ: 90°
• Cell volume: 477.894 ± 0.017 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 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: 0.0386
• Residual factor for significantly intense reflections: 0.0346
• Weighted residual factors for significantly intense reflections: 0.0815
• Weighted residual factors for all reflections included in the refinement: 0.0837
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No