Information card for entry 7153452

Structure parameters

• Formula: C33 H25 N
• Calculated formula: C33 H25 N
• SMILES: N1(c2c(cccc2)C(c2c1cccc2)c1ccccc1)C=C(c1ccccc1)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: 9.942 ± 0.0004 Å
• b: 19.4575 ± 0.0007 Å
• c: 23.8119 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4606.3 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0555
• Residual factor for significantly intense reflections: 0.0504
• Weighted residual factors for significantly intense reflections: 0.1222
• Weighted residual factors for all reflections included in the refinement: 0.1259
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No