Information card for entry 4034930

Structure parameters

• Formula: C18 H29 N O5
• Calculated formula: C18 H29 N O5
• SMILES: CCCCCCCCN1C(=O)[C@@H]2[C@H]([C@@H]3[C@H]([C@H]([C@@H]2C1=O)CO)O3)CO
• Title of publication: Synthesis and Desymmetrization of meso Tricyclic Systems Derived from Benzene Oxide.
• Authors of publication: Matías, Desirée M; Johnson, Jeffrey S.
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2018
• Journal volume: 83
• Journal issue: 8
• Pages of publication: 4859 - 4866
• a: 5.7958 ± 0.00006 Å
• b: 14.35143 ± 0.00015 Å
• c: 43.7743 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3641.06 ± 0.07 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0638
• Residual factor for significantly intense reflections: 0.0491
• Weighted residual factors for significantly intense reflections: 0.1242
• Weighted residual factors for all reflections included in the refinement: 0.1336
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No