Information card for entry 7233333

Structure parameters

• Formula: C7 H7 I O
• Calculated formula: C7 H6 I O
• Title of publication: Halobenzyl alcohols as structurally simple organogelators
• Authors of publication: Prathap, Annamalai; Ravi, Arthi; Pathan, Javed R.; Sureshan, Kana M.
• Journal of publication: CrystEngComm
• Year of publication: 2019
• Journal volume: 21
• Journal issue: 35
• Pages of publication: 5310
• a: 6.0322 ± 0.0003 Å
• b: 16.5564 ± 0.001 Å
• c: 22.5967 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2256.8 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0351
• Residual factor for significantly intense reflections: 0.0284
• Weighted residual factors for significantly intense reflections: 0.0663
• Weighted residual factors for all reflections included in the refinement: 0.0701
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No