Information card for entry 7153451

Structure parameters

• Formula: C30 H27 N O2
• Calculated formula: C30 H27 N O2
• SMILES: N1=CC(C(c2ccccc12)(c1ccc(OC)cc1)c1ccc(OC)cc1)(C)c1ccccc1
• 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: 9.5349 ± 0.0014 Å
• b: 10.3815 ± 0.0015 Å
• c: 13.64 ± 0.002 Å
• α: 68.248 ± 0.002°
• β: 71.532 ± 0.002°
• γ: 65.462 ± 0.002°
• Cell volume: 1119.4 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0625
• Residual factor for significantly intense reflections: 0.0506
• Weighted residual factors for significantly intense reflections: 0.1127
• Weighted residual factors for all reflections included in the refinement: 0.1189
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No