Information card for entry 2233393

Structure parameters

• Chemical name: (<i>E</i>)-2-<i>tert</i>-Butyl-6-[(naphthalen-1-yl)iminomethyl]phenol
• Formula: C21 H21 N O
• Calculated formula: C21 H21 N O
• SMILES: Oc1c(C(C)(C)C)cccc1/C=N/c1c2c(ccc1)cccc2
• Title of publication: (<i>E</i>)-2-<i>tert</i>-Butyl-6-[(naphthalen-1-yl)iminomethyl]phenol
• Authors of publication: Jamjah, Roghayieh; Nekoomanesh, Mehdi; Zahedi, Roya; Zohuri, Gholamhossein; Afshar Taromi, Faramarz; Notash, Behrouz
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 2
• Pages of publication: o522
• a: 9.477 ± 0.0019 Å
• b: 20.109 ± 0.004 Å
• c: 34.595 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6593 ± 2 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.1118
• Residual factor for significantly intense reflections: 0.0671
• Weighted residual factors for significantly intense reflections: 0.1347
• Weighted residual factors for all reflections included in the refinement: 0.1545
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes