Information card for entry 2234394

Structure parameters

• Chemical name: 1,1'-Bis(3-methyl-3-phenylcyclobutyl)-2,2'-(azanediyl)diethanol
• Formula: C26 H35 N O2
• Calculated formula: C26 H35 N O2
• SMILES: c1ccccc1C1(CC(C1)[C@@H](CNC[C@@H](C1CC(C1)(C)c1ccccc1)O)O)C
• Title of publication: 1,1'-Bis(3-methyl-3-phenylcyclobutyl)-2,2'-(azanediyl)diethanol
• Authors of publication: Şen, Fatih; Dinçer, Muharrem; Çukurovalı, Alaaddin; Yılmaz, Ibrahim
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 4
• Pages of publication: o1052
• a: 6.2156 ± 0.0004 Å
• b: 33.2505 ± 0.0015 Å
• c: 12.1792 ± 0.0008 Å
• α: 90°
• β: 110.656 ± 0.005°
• γ: 90°
• Cell volume: 2355.3 ± 0.3 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 4
• 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: 0.2068
• Residual factor for significantly intense reflections: 0.0675
• Weighted residual factors for significantly intense reflections: 0.1274
• Weighted residual factors for all reflections included in the refinement: 0.1725
• Goodness-of-fit parameter for all reflections included in the refinement: 0.949
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes