Information card for entry 7150458

Structure parameters

• Formula: C22 H23 B F4 O
• Calculated formula: C22 H23 B F4 O
• Title of publication: Solvatochromism, halochromism, and preferential solvation of new dipolar guaiazulenyl 1,4-benzoquinone methidesElectronic supplementary information (ESI) available: Absorption maxima of the dyes 6‒10 in seven binary solvent mixtures. See http://www.rsc.org/suppdata/ob/b2/b209555f/
• Authors of publication: Laus, Gerhard; Schottenberger, Herwig; Wurst, Klaus; Schütz, Johannes; Ongania, Karl-Hans; Horvath, Ulrike Erika Ida; Schwärzler, Alexander
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2003
• Journal volume: 1
• Journal issue: 8
• Pages of publication: 1409
• a: 9.8532 ± 0.0007 Å
• b: 6.9944 ± 0.0005 Å
• c: 14.504 ± 0.001 Å
• α: 90°
• β: 105.737 ± 0.003°
• γ: 90°
• Cell volume: 962.11 ± 0.12 ų
• Cell temperature: 233 ± 2 K
• Ambient diffraction temperature: 233 ± 2 K
• Number of distinct elements: 5
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.0595
• Residual factor for significantly intense reflections: 0.0423
• Weighted residual factors for significantly intense reflections: 0.0995
• Weighted residual factors for all reflections included in the refinement: 0.107
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No