Information card for entry 4037589

Structure parameters

• Formula: C25 H30 N2 O4
• Calculated formula: C25 H30.5 N2 O4
• SMILES: [C@H]1(c2ccccc2C=C[C@@H]1c1cc(ccc1/C(=N/OC)C)OC)NC(=O)OC(C)(C)C.[C@@H]1(c2ccccc2C=C[C@H]1c1cc(ccc1/C(=N/OC)C)OC)NC(=O)OC(C)(C)C
• Title of publication: Rhodium(III)-Catalyzed Diastereoselective Ring-Opening of 7-Azabenzonorbornadienes with Aromatic Ketoximes: Synthesis of Benzophenanthridine Derivatives.
• Authors of publication: Vinayagam, Varathan; Mariappan, Arumugam; Jana, Mrinmoy; Jeganmohan, Masilamani
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2019
• a: 11.1405 ± 0.0016 Å
• b: 14.6954 ± 0.0016 Å
• c: 15.232 ± 0.002 Å
• α: 89.364 ± 0.005°
• β: 79.407 ± 0.004°
• γ: 75.874 ± 0.004°
• Cell volume: 2375.6 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1138
• Residual factor for significantly intense reflections: 0.0609
• Weighted residual factors for significantly intense reflections: 0.1617
• Weighted residual factors for all reflections included in the refinement: 0.1996
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No