Information card for entry 4516056

Structure parameters

• Formula: C29 H33 F N2 O6
• Calculated formula: C29 H33 F N2 O6
• SMILES: Fc1ccc(C(=O)C2=CN([C@@H]3C=C(NC(=O)OC(C)(C)C)C[C@H]2C3(OC)OC)c2ccc(OC)cc2)cc1.Fc1ccc(C(=O)C2=CN([C@H]3C=C(NC(=O)OC(C)(C)C)C[C@@H]2C3(OC)OC)c2ccc(OC)cc2)cc1
• Title of publication: Site-Selective Reaction of Enaminones and Enamine Esters for the Synthesis of Novel Diverse Morphan Derivatives.
• Authors of publication: Hu, Xing-Mei; Zhou, Bei; Yang, Chang-Long; Lin, Jun; Yan, Sheng-Jiao
• Journal of publication: ACS omega
• Year of publication: 2018
• Journal volume: 3
• Journal issue: 6
• Pages of publication: 5994 - 6005
• a: 11.496 Å
• b: 12.24 Å
• c: 13.457 Å
• α: 79.41°
• β: 67.16°
• γ: 71.68°
• Cell volume: 1652.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.15 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0729
• Residual factor for significantly intense reflections: 0.0472
• Weighted residual factors for significantly intense reflections: 0.1184
• Weighted residual factors for all reflections included in the refinement: 0.1286
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No