Information card for entry 4021862

Structure parameters

• Formula: C23 H33 N O8
• Calculated formula: C23 H33 N O8
• SMILES: N1([C@@](C=CC1)(COC(=O)[C@]12CC[C@@](C1(C)C)(C)C(=O)O2)COC(=O)C)C(=O)OC(C)(C)C
• Title of publication: An Enzymatic Approach to the Desymmetrization of Disubstituted Pyrrolines
• Authors of publication: Timothy J. Donohoe; Caroline L. Rigby; Rhian E. Thomas; William F. Nieuwenhuys; Farrah L. Bhatti; Andrew R. Cowley; Gurdip Bhalay; Ian D. Linney
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2006
• Journal volume: 71
• Pages of publication: 6298 - 6301
• a: 7.3446 ± 0.0002 Å
• b: 10.1754 ± 0.0003 Å
• c: 16.0336 ± 0.0005 Å
• α: 90°
• β: 94.1618 ± 0.0015°
• γ: 90°
• Cell volume: 1195.1 ± 0.06 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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 significantly intense reflections: 0.0346
• Weighted residual factors for all reflections included in the refinement: 0.0399
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0484
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No