Information card for entry 1505899

Structure parameters

• Chemical name: dicyclohexylammonium benzotriazolate phenol (1:1:1)
• Formula: C24 H34 N4 O
• Calculated formula: C24 H34 N4 O
• Title of publication: Benzotriazole complexes with amines and phenol: cooperativity mediated by induction effects in the crystal state.
• Authors of publication: Zonta, Cristiano; Crisma, Marco; De Lucchi, Ottorino; Motterle, Riccardo; Serafini, Siro
• Journal of publication: Organic letters
• Year of publication: 2006
• Journal volume: 8
• Journal issue: 8
• Pages of publication: 1577 - 1579
• a: 14.607 ± 0.003 Å
• b: 17.531 ± 0.003 Å
• c: 18.792 ± 0.003 Å
• α: 90°
• β: 103.93 ± 0.06°
• γ: 90°
• Cell volume: 4670.6 ± 1.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0812
• Residual factor for significantly intense reflections: 0.0709
• Weighted residual factors for significantly intense reflections: 0.1966
• Weighted residual factors for all reflections included in the refinement: 0.2276
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No