Information card for entry 1503034

Structure parameters

• Formula: C18 H25 N O5
• Calculated formula: C18 H25 N O5
• SMILES: O1C(=O)C[C@]23CC(CC[C@H]3O[C@]31C[C@H]1C[C@H](N(=O)=O)[C@@]23CC1)(C)C.O1C(=O)C[C@@]23CC(CC[C@@H]3O[C@@]31C[C@@H]1C[C@@H](N(=O)=O)[C@]23CC1)(C)C
• Title of publication: A synthesis of the carbocyclic core of maoecrystal V.
• Authors of publication: Lazarski, Kiel E.; Hu, Dennis X.; Stern, Charlotte L.; Thomson, Regan J.
• Journal of publication: Organic letters
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 13
• Pages of publication: 3010 - 3013
• a: 11.2417 ± 0.0002 Å
• b: 12.5001 ± 0.0002 Å
• c: 12.3596 ± 0.0002 Å
• α: 90°
• β: 111.39 ± 0.001°
• γ: 90°
• Cell volume: 1617.17 ± 0.05 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0625
• Residual factor for significantly intense reflections: 0.0544
• Weighted residual factors for significantly intense reflections: 0.1595
• Weighted residual factors for all reflections included in the refinement: 0.1631
• Goodness-of-fit parameter for all reflections included in the refinement: 1.169
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No