Information card for entry 7151316

Structure parameters

• Formula: C24 H24 N2 O4
• Calculated formula: C24 H24 N2 O4
• SMILES: O=C1N([C@H](C[C@@]2(C=Nc3ccccc23)[C@@H]1CC(=O)C)C(=O)OC)Cc1ccccc1.O=C1N([C@@H](C[C@]2(C=Nc3ccccc23)[C@H]1CC(=O)C)C(=O)OC)Cc1ccccc1
• Title of publication: Short, asymmetric synthesis of epi-morphine ACNO analogues.
• Authors of publication: Heureux, Nicolas; Wouters, Johan; Norberg, Bernadette; Markó, István E
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2006
• Journal volume: 4
• Journal issue: 21
• Pages of publication: 3898 - 3900
• a: 17.576 ± 0.003 Å
• b: 15.667 ± 0.002 Å
• c: 7.465 ± 0.001 Å
• α: 90°
• β: 90.461 ± 0.011°
• γ: 90°
• Cell volume: 2055.5 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0387
• Residual factor for significantly intense reflections: 0.0378
• Weighted residual factors for significantly intense reflections: 0.1093
• Weighted residual factors for all reflections included in the refinement: 0.1105
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No