Information card for entry 7206779

Structure parameters

• Formula: C28 H21 Cl O5
• Calculated formula: C28 H21 Cl O5
• Title of publication: Phase transition thermochromism based on C‒H acidity of 4-alkylflavylium compounds in Pluronic F-127
• Authors of publication: Avó, João; Parola, A. Jorge; Lima, João C.; Pina, Fernando; Cunha-Silva, Luís
• Journal of publication: Journal of Materials Chemistry
• Year of publication: 2011
• Journal volume: 21
• Journal issue: 41
• Pages of publication: 16628
• a: 11.401 ± 0.005 Å
• b: 11.288 ± 0.005 Å
• c: 17.046 ± 0.007 Å
• α: 90°
• β: 90.54 ± 0.03°
• γ: 90°
• Cell volume: 2193.6 ± 1.6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0873
• Residual factor for significantly intense reflections: 0.0787
• Weighted residual factors for significantly intense reflections: 0.165
• Weighted residual factors for all reflections included in the refinement: 0.168
• Goodness-of-fit parameter for all reflections included in the refinement: 1.307
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No