Information card for entry 7201807

Structure parameters

• Formula: C19 H13 Br3 O
• Calculated formula: C19 H13 Br3 O
• SMILES: Brc1ccc(C(c2ccc(Br)cc2)(c2ccc(Br)cc2)O)cc1
• 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: 8.767 ± 0.0003 Å
• b: 10.911 ± 0.0004 Å
• c: 18.319 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1752.34 ± 0.1 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 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: 0.0695
• Residual factor for significantly intense reflections: 0.0348
• Weighted residual factors for significantly intense reflections: 0.0544
• Weighted residual factors for all reflections included in the refinement: 0.0595
• Goodness-of-fit parameter for all reflections included in the refinement: 0.808
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No