Information card for entry 8104818

Structure parameters

• Formula: C34 H32 Br4 N4 O4
• Calculated formula: C34 H32 Br4 N4 O4
• Title of publication: Crystal structure of N,N′-bis(4-bromosalicylidene) ethylene-1,2-diaminopropan, C34H32Br4N4O4
• Authors of publication: Li, Tianyu; Xu, Xindi; Wang, Man; Wang, Xia; Wu, Qiong
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2021
• Journal volume: 236
• Journal issue: 2
• Pages of publication: 319 - 321
• a: 16.3126 ± 0.0005 Å
• b: 6.9654 ± 0.0002 Å
• c: 29.3 ± 0.001 Å
• α: 90°
• β: 92.726 ± 0.001°
• γ: 90°
• Cell volume: 3325.41 ± 0.18 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0615
• Residual factor for significantly intense reflections: 0.0349
• Weighted residual factors for significantly intense reflections: 0.0701
• Weighted residual factors for all reflections included in the refinement: 0.0799
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No