Information card for entry 1567657

Structure parameters

• Formula: C14 H8 I4 N8
• Calculated formula: C14 H8 I4 N8
• Title of publication: Fast relaxing red and near-IR switchable azobenzenes with chalcogen and halogen substituents: periodic trends, tuneable thermal half-lives and chalcogen bonding.
• Authors of publication: Kerckhoffs, Aidan; Christensen, Kirsten E.; Langton, Matthew J.
• Journal of publication: Chemical science
• Year of publication: 2022
• Journal volume: 13
• Journal issue: 39
• Pages of publication: 11551 - 11559
• a: 11.9316 ± 0.0003 Å
• b: 12.2715 ± 0.0005 Å
• c: 15.2444 ± 0.0007 Å
• α: 73.159 ± 0.004°
• β: 73.857 ± 0.003°
• γ: 79.026 ± 0.003°
• Cell volume: 2037.41 ± 0.14 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1306
• Residual factor for significantly intense reflections: 0.1252
• Weighted residual factors for all reflections: 0.1122
• Weighted residual factors for significantly intense reflections: 0.1083
• Weighted residual factors for all reflections included in the refinement: 0.1122
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1626
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No