Information card for entry 7150319

Structure parameters

• Formula: C29 H35 N O6
• Calculated formula: C29 H35 N O6
• SMILES: c1ccccc1C(=C/[C@@H]1C[C@]1(C(=O)OC)N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)/c1ccccc1
• Title of publication: Efficient synthesis of protected cyclopropyl beta-aspartylphosphates.
• Authors of publication: Adams, Luke A.; Charmant, Jonathan P. H.; Cox, Russell J.; Walter, Magnus; Whittingham, William G.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2004
• Journal volume: 2
• Journal issue: 4
• Pages of publication: 542 - 553
• a: 5.8851 ± 0.0013 Å
• b: 10.029 ± 0.002 Å
• c: 12.416 ± 0.003 Å
• α: 112.711 ± 0.004°
• β: 91.376 ± 0.004°
• γ: 97.897 ± 0.004°
• Cell volume: 667.2 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.1821
• Residual factor for significantly intense reflections: 0.0891
• Weighted residual factors for significantly intense reflections: 0.1994
• Weighted residual factors for all reflections included in the refinement: 0.2349
• Goodness-of-fit parameter for all reflections included in the refinement: 0.879
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No