Information card for entry 2231014

Structure parameters

• Chemical name: 4-[3-(Benzylamino)-2-hydroxypropyl]-2,6-di-<i>tert</i>-butylphenol
• Formula: C24 H35 N O2
• Calculated formula: C24 H35 N O2
• SMILES: Oc1c(cc(CC(O)CNCc2ccccc2)cc1C(C)(C)C)C(C)(C)C
• Title of publication: 4-[3-(Benzylamino)-2-hydroxypropyl]-2,6-di-<i>tert</i>-butylphenol
• Authors of publication: Asgarova, Ayten R.; Allahverdiyev, Mirze A.; Khalilov, Ali. N.; Gurbanov, Atash V.; Brito, Iván
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 8
• Pages of publication: o2024
• a: 9.8053 ± 0.001 Å
• b: 18.87 ± 0.002 Å
• c: 23.584 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4363.7 ± 0.8 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1169
• Residual factor for significantly intense reflections: 0.0907
• Weighted residual factors for significantly intense reflections: 0.2224
• Weighted residual factors for all reflections included in the refinement: 0.2425
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes