Information card for entry 7052033

Structure parameters

• Common name: PyC8TOV.(1.5(H!2$O))
• Formula: C33 H38 Br N5 O3.5
• Calculated formula: C33 H38 Br N5 O3.5
• Title of publication: Association-mediated chromism of amphiphilic triphenyl-6-oxoverdazyl
• Authors of publication: Suzuki, Kentaro; Matsushita, Michio M.; Hayashi, Hiroyuki; Koga, Noboru; Sugawara, Tadashi
• Journal of publication: New Journal of Chemistry
• Year of publication: 2008
• Journal volume: 32
• Journal issue: 12
• Pages of publication: 2201
• a: 10.29 ± 0.0005 Å
• b: 14.2102 ± 0.0011 Å
• c: 22.7217 ± 0.0018 Å
• α: 78.549 ± 0.013°
• β: 82.282 ± 0.014°
• γ: 79.978 ± 0.013°
• Cell volume: 3189.4 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1703
• Residual factor for significantly intense reflections: 0.0623
• Weighted residual factors for significantly intense reflections: 0.1279
• Weighted residual factors for all reflections included in the refinement: 0.16
• Goodness-of-fit parameter for all reflections included in the refinement: 0.96
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No