Information card for entry 7118249

Structure parameters

• Formula: C31 H24 N2 O2
• Calculated formula: C31 H24 N2 O2
• SMILES: c1ccccc1C1=N[C@@]2([C@H](C1)C(=O)c1ccccc1)C(=O)N(c1c2cccc1)Cc1ccccc1.c1ccccc1C1=N[C@]2([C@@H](C1)C(=O)c1ccccc1)C(=O)N(c1c2cccc1)Cc1ccccc1
• Title of publication: Construction of 1-pyrroline skeletons by Lewis acid-mediated conjugate addition of vinyl azides.
• Authors of publication: Zhu, Xu; Chiba, Shunsuke
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2016
• Journal volume: 52
• Journal issue: 12
• Pages of publication: 2473 - 2476
• a: 9.365 ± 0.0009 Å
• b: 11.4265 ± 0.001 Å
• c: 11.9971 ± 0.0011 Å
• α: 74.104 ± 0.003°
• β: 80.112 ± 0.003°
• γ: 71.016 ± 0.003°
• Cell volume: 1162.72 ± 0.19 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 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: 0.0818
• Residual factor for significantly intense reflections: 0.0502
• Weighted residual factors for significantly intense reflections: 0.1027
• Weighted residual factors for all reflections included in the refinement: 0.1209
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No