Information card for entry 1507401

Structure parameters

• Formula: C27 H28 N2 O6
• Calculated formula: C27 H28 N2 O6
• SMILES: O1[C@@]23C=C[C@@H]1[C@@H]([C@H]2C(=O)N([C@@H]3C(=O)NCc1ccccc1)Cc1ccc(OC)cc1)C(=O)OCC.O1[C@]23C=C[C@H]1[C@H]([C@@H]2C(=O)N([C@H]3C(=O)NCc1ccccc1)Cc1ccc(OC)cc1)C(=O)OCC
• Title of publication: Stereochemical control of skeletal diversity.
• Authors of publication: Sello, Jason K.; Andreana, Peter R.; Lee, Daesung; Schreiber, Stuart L.
• Journal of publication: Organic letters
• Year of publication: 2003
• Journal volume: 5
• Journal issue: 22
• Pages of publication: 4125 - 4127
• a: 17.956 ± 0.002 Å
• b: 20.546 ± 0.003 Å
• c: 12.9986 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4795.5 ± 1.1 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 4
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.0941
• Residual factor for significantly intense reflections: 0.0521
• Weighted residual factors for significantly intense reflections: 0.1272
• Weighted residual factors for all reflections included in the refinement: 0.1503
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No