Information card for entry 7230328

Structure parameters

• Common name: 35Br3SAP-35NO2BA
• Chemical name: 2,4-dibromo-6-[(E)-3-pyridyliminomethyl]phenol, 3,5-dinitrobenzoic acid
• Formula: C19 H12 Br2 N4 O7
• Calculated formula: C19 H12 Br2 N4 O7
• 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: 37.206 ± 0.003 Å
• b: 7.3594 ± 0.0006 Å
• c: 7.5694 ± 0.0006 Å
• α: 90°
• β: 91.589 ± 0.002°
• γ: 90°
• Cell volume: 2071.8 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0967
• Residual factor for significantly intense reflections: 0.0473
• Weighted residual factors for significantly intense reflections: 0.1044
• Weighted residual factors for all reflections included in the refinement: 0.1427
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No