Information card for entry 7203153

Structure parameters

• Formula: C25 H31 N3 O
• Calculated formula: C25 H31 N3 O
• SMILES: N(c1ccc(C(O)(c2ccc(N(C)C)cc2)c2ccc(N(C)C)cc2)cc1)(C)C
• Title of publication: Triarylcarbinol derivatives barter intermolecular interactions to accommodate substituents and create polymorphs
• Authors of publication: Bacchi, Alessia; Bosetti, Elsa; Carcelli, Mauro; Pelagatti, Paolo; Pelizzi, Giancarlo; Rogolino, Dominga
• Journal of publication: CrystEngComm
• Year of publication: 2006
• Journal volume: 8
• Journal issue: 3
• Pages of publication: 233
• a: 11.006 ± 0.005 Å
• b: 10.491 ± 0.005 Å
• c: 19.293 ± 0.005 Å
• α: 86.37 ± 0.02°
• β: 88.4 ± 0.02°
• γ: 88.5 ± 0.02°
• Cell volume: 2221.6 ± 1.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0549
• Residual factor for significantly intense reflections: 0.0464
• Weighted residual factors for significantly intense reflections: 0.1391
• Weighted residual factors for all reflections included in the refinement: 0.1486
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No