Information card for entry 7230330

Structure parameters

• Common name: 35tBu-3SAP
• Chemical name: 2,4-tert-butyl-6-[(E)-3-pyridyliminomethyl]phenol
• Formula: C20 H26 N2 O
• Calculated formula: C20 H26 N2 O
• Title of publication: Relationship between crystal structures and photochromic properties of N-salicylideneaminopyridine derivatives
• Authors of publication: Sugiyama, Haruki; Uekusa, Hidehiro
• Journal of publication: CrystEngComm
• Year of publication: 2018
• Journal volume: 20
• Journal issue: 15
• Pages of publication: 2144
• a: 6.1462 ± 0.0006 Å
• b: 18.7572 ± 0.0019 Å
• c: 16.1025 ± 0.0016 Å
• α: 90°
• β: 95.859 ± 0.002°
• γ: 90°
• Cell volume: 1846.7 ± 0.3 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1515
• Residual factor for significantly intense reflections: 0.0686
• Weighted residual factors for significantly intense reflections: 0.1397
• Weighted residual factors for all reflections included in the refinement: 0.1736
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No