Information card for entry 7150320

Structure parameters

• Formula: C24 H26 Cl3 N O4
• Calculated formula: C24 H26 Cl3 N O4
• SMILES: c1ccccc1/C(=C/[C@H]1C[C@]1(C(=O)O)NC(=O)OC(C)(C)C)c1ccccc1.C(Cl)(Cl)Cl.c1ccccc1/C(=C/[C@@H]1C[C@@]1(C(=O)O)NC(=O)OC(C)(C)C)c1ccccc1.C(Cl)(Cl)Cl
• 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: 12.425 ± 0.003 Å
• b: 18.223 ± 0.005 Å
• c: 11.601 ± 0.002 Å
• α: 90°
• β: 103.042 ± 0.017°
• γ: 90°
• Cell volume: 2559 ± 1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• 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: 0.0975
• Residual factor for significantly intense reflections: 0.0726
• Weighted residual factors for significantly intense reflections: 0.1946
• Weighted residual factors for all reflections included in the refinement: 0.2173
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No