Information card for entry 2214705

Structure parameters

• Chemical name: 6,6-Diisopropyl-3,3'-dimethyl-2,2'-azinodiphenol
• Formula: C22 H28 N2 O2
• Calculated formula: C22 H28 N2 O2
• SMILES: Cc1ccc(c(c1/C=N/N=C/c1c(C)ccc(c1O)C(C)C)O)C(C)C
• Title of publication: 6,6-Diisopropyl-3,3'-dimethyl-2,2'-azinodiphenol
• Authors of publication: Butcher, Ray J.; Bendre, Ratna S.; Kuwar, Anil S.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 8
• Pages of publication: o3360 - o3360
• a: 11.925 ± 0.002 Å
• b: 6.0622 ± 0.0012 Å
• c: 14.152 ± 0.002 Å
• α: 90°
• β: 98.763 ± 0.01°
• γ: 90°
• Cell volume: 1011.1 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0687
• Residual factor for significantly intense reflections: 0.0587
• Weighted residual factors for significantly intense reflections: 0.1608
• Weighted residual factors for all reflections included in the refinement: 0.181
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes