Information card for entry 7153450

Structure parameters

• Formula: C32 H33 N3
• Calculated formula: C32 H33 N3
• SMILES: N1=CC(C(c2ccccc12)(c1ccc(N(C)C)cc1)c1ccc(N(C)C)cc1)(c1ccccc1)C
• Title of publication: Domino reactions initiated by intramolecular hydride transfers from tri(di)arylmethane fragments to ketenimine and carbodiimide functions.
• Authors of publication: Alajarin, Mateo; Bonillo, Baltasar; Ortin, Maria-Mar; Sanchez-Andrada, Pilar; Vidal, Angel; Orenes, Raul-Angel
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2010
• Journal volume: 8
• Journal issue: 20
• Pages of publication: 4690 - 4700
• a: 7.8211 ± 0.0007 Å
• b: 14.9825 ± 0.0012 Å
• c: 21.5278 ± 0.0018 Å
• α: 90°
• β: 94.026 ± 0.001°
• γ: 90°
• Cell volume: 2516.4 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• 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: 0.0698
• Residual factor for significantly intense reflections: 0.0589
• Weighted residual factors for significantly intense reflections: 0.1217
• Weighted residual factors for all reflections included in the refinement: 0.1271
• Goodness-of-fit parameter for all reflections included in the refinement: 1.125
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No