Information card for entry 7201810

Structure parameters

• Formula: C22 H16 I3 O
• Calculated formula: C22 H16 I3 O
• Title of publication: OH‒π and halogen‒π interactions as driving forces in the crystal organisations of tri-bromo and tri-iodo trityl alcohols
• Authors of publication: Schollmeyer, Dieter; Shishkin, Oleg V.; Rühl, Thomas; Vysotsky, Myroslav O.
• Journal of publication: CrystEngComm
• Year of publication: 2008
• Journal volume: 10
• Journal issue: 6
• Pages of publication: 715
• a: 6.4517 ± 0.0002 Å
• b: 12.7694 ± 0.0003 Å
• c: 13.9219 ± 0.0003 Å
• α: 105.763 ± 0.001°
• β: 100.976 ± 0.001°
• γ: 96.771 ± 0.001°
• Cell volume: 1066.01 ± 0.05 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 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: 0.0338
• Residual factor for significantly intense reflections: 0.0278
• Weighted residual factors for significantly intense reflections: 0.0691
• Weighted residual factors for all reflections included in the refinement: 0.0726
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No