Information card for entry 7156854

Structure parameters

• Formula: C28 H23 N3 O2
• Calculated formula: C28 H23 N3 O2
• Title of publication: Chemodivergent reaction of azomethine imines and 2H-azirines for the synthesis of nitrogen-containing scaffolds.
• Authors of publication: Wu, Yufeng; Tian, Bing; Hu, Chao; Sekine, Kohei; Rudolph, Matthias; Rominger, Frank; Hashmi, A Stephen K
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2019
• Journal volume: 17
• Journal issue: 22
• Pages of publication: 5505 - 5508
• a: 9.4665 ± 0.001 Å
• b: 10.3663 ± 0.0011 Å
• c: 12.9597 ± 0.0014 Å
• α: 101.761 ± 0.003°
• β: 90.841 ± 0.003°
• γ: 113.945 ± 0.003°
• Cell volume: 1131.2 ± 0.2 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.1169
• Residual factor for significantly intense reflections: 0.0592
• Weighted residual factors for significantly intense reflections: 0.1261
• Weighted residual factors for all reflections included in the refinement: 0.1526
• 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: No
• Has Fobs: No