Information card for entry 1515421

Structure parameters

• Formula: C22.27 H24.8 Cl0.47 N2
• Calculated formula: C22.2666 H24.7998 Cl0.4668 N2
• Title of publication: Azomethine ylide annulations: facile access to polycyclic ring systems
• Authors of publication: Zhang, Chen; Das, Deepankar; Seidel, Daniel
• Journal of publication: Chemical Science
• Year of publication: 2011
• Journal volume: 2
• Journal issue: 2
• Pages of publication: 233
• a: 12.378 ± 0.0007 Å
• b: 11.7627 ± 0.0007 Å
• c: 24.4212 ± 0.0014 Å
• α: 90°
• β: 92.43 ± 0.001°
• γ: 90°
• Cell volume: 3552.5 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0738
• Residual factor for significantly intense reflections: 0.0577
• Weighted residual factors for significantly intense reflections: 0.1353
• Weighted residual factors for all reflections included in the refinement: 0.1444
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No