Information card for entry 1519474

Structure parameters

• Formula: C32 H40 N2 O8
• Calculated formula: C32 H40 N2 O8
• SMILES: O(C(=O)C[C@]1(N2[C@@H](N(Cc3ccccc3)C[C@H]2c2ccccc2)[C@@H](C(=O)OCC)[C@@H]1C(=O)OCC)C(=O)OCC)CC
• Title of publication: C32H40N2O8
• Authors of publication: Jones, Ray C.F.; Horton, Peter N.; Hursthouse, Michael B.
• Journal of publication: Crystal Structure Report Archive
• Year of publication: 2002
• Pages of publication: 941
• a: 19.403 ± 0.002 Å
• b: 8.9915 ± 0.0011 Å
• c: 17.855 ± 0.002 Å
• α: 90°
• β: 93.313 ± 0.004°
• γ: 90°
• Cell volume: 3109.8 ± 0.6 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.1777
• Residual factor for significantly intense reflections: 0.0942
• Weighted residual factors for significantly intense reflections: 0.2282
• Weighted residual factors for all reflections included in the refinement: 0.2782
• Goodness-of-fit parameter for all reflections included in the refinement: 0.98
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No