Information card for entry 7230335

Structure parameters

• Common name: 5Br3SAP-14IbiPh
• Chemical name: 4-bromo-2-[(E)-3-pyridyliminomethyl]phenol, 1,4-diiodobiphenyl
• Formula: C18 H13 Br I N2 O
• Calculated formula: C18 H13 Br I 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: 37.851 ± 0.002 Å
• b: 6.9901 ± 0.0004 Å
• c: 6.168 ± 0.003 Å
• α: 90°
• β: 90.041 ± 0.002°
• γ: 90°
• Cell volume: 1631.9 ± 0.8 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0417
• Residual factor for significantly intense reflections: 0.0377
• Weighted residual factors for significantly intense reflections: 0.0813
• Weighted residual factors for all reflections included in the refinement: 0.0838
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No