Information card for entry 7230331

Structure parameters

• Common name: 5Br3SAP-13IBz
• Chemical name: 4-bromo-2-[(E)-3-pyridyliminomethyl]phenol, 1,3-diiodobenzene
• Formula: C15 H11 Br I N2 O
• Calculated formula: C15 H11 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: 6.1651 ± 0.0012 Å
• b: 66.924 ± 0.013 Å
• c: 6.833 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2819.2 ± 0.9 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 6
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0339
• Residual factor for significantly intense reflections: 0.0294
• Weighted residual factors for significantly intense reflections: 0.0768
• Weighted residual factors for all reflections included in the refinement: 0.0797
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.6998 Å
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No