Information card for entry 7203157

Structure parameters

• Formula: C22 H25 N3 O
• Calculated formula: C22 H25 N3 O
• SMILES: OC(c1ccc(N(C)C)cc1)(c1ccc(N(C)C)cc1)c1ccncc1
• 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: 7.759 ± 0.009 Å
• b: 18.66 ± 0.02 Å
• c: 6.57 ± 0.005 Å
• α: 96.2 ± 0.1°
• β: 97.72 ± 0.09°
• γ: 96.1 ± 0.1°
• Cell volume: 930 ± 1.7 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: 0.2543
• Residual factor for significantly intense reflections: 0.107
• Weighted residual factors for significantly intense reflections: 0.2762
• Weighted residual factors for all reflections included in the refinement: 0.3649
• Goodness-of-fit parameter for all reflections included in the refinement: 0.799
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No