Information card for entry 7116340

Structure parameters

• Chemical name: compound 5
• Formula: C18 H23 N O3
• Calculated formula: C18 H23 N O3
• SMILES: O[C@@]12[C@@H](C(O)(C)C)C[C@@H]1[C@@H](CO)Cc1c2c2c([nH]cc2)cc1
• Title of publication: Synthetic studies toward penitrem E: enantiocontrolled construction of B-E rings
• Authors of publication: Yu Yoshii; Takanori Otsu; Norihiko Hosokawa; Kiyosei Takasu; Kentaro Okano; Hidetoshi Tokuyama
• Journal of publication: Chem.Commun.
• Year of publication: 2015
• Journal volume: 51
• Pages of publication: 1070
• a: 9.976 ± 0.0009 Å
• b: 10.5599 ± 0.0009 Å
• c: 14.5715 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1535 ± 0.2 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: 0.1032
• Residual factor for significantly intense reflections: 0.0602
• Weighted residual factors for significantly intense reflections: 0.1395
• Weighted residual factors for all reflections included in the refinement: 0.2052
• Goodness-of-fit parameter for all reflections included in the refinement: 1.219
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No