Information card for entry 7158793

Structure parameters

• Formula: C45 H38 Cl2 F2 N6 O6
• Calculated formula: C45 H38 Cl2 F2 N6 O6
• Title of publication: Synthesis of bridgehead-azacycles <i>via</i> dual C-N/C-C annulation of α-amino acids, aminals and maleimides.
• Authors of publication: Thadem, Nagender; Rajesh, Manda; Balaboina, Harikrishna; Das, Saibal
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2022
• a: 22.524 ± 0.002 Å
• b: 24.034 ± 0.007 Å
• c: 7.426 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4020 ± 3 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 6
• Space group number: 41
• Hermann-Mauguin space group symbol: A e a 2
• Hall space group symbol: A 2 -2ab
• Residual factor for all reflections: 0.066
• Residual factor for significantly intense reflections: 0.0407
• Weighted residual factors for significantly intense reflections: 0.0864
• Weighted residual factors for all reflections included in the refinement: 0.0991
• Goodness-of-fit parameter for all reflections included in the refinement: 0.956
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No