Information card for entry 2203312

Structure parameters

• Chemical name: [(Z)-3-Dimethylamino-2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)- allylidene]dimethylammonium hexafluorophosphate
• Formula: C15 H18 F6 N3 O2 P
• Calculated formula: C15 H18 F6 N3 O2 P
• Title of publication: [(<i>Z</i>)-3-Dimethylamino-2-(1,3-dioxo-2,3-dihydro-1<i>H</i>-isoindol-2-yl)allylidene]dimethylammonium hexafluorophosphate
• Authors of publication: Jonathan D Crane; Steven M Daniels
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 3
• Pages of publication: o395 - o396
• a: 9.2929 ± 0.0009 Å
• b: 10.8379 ± 0.0011 Å
• c: 18.7453 ± 0.0019 Å
• α: 85.696 ± 0.008°
• β: 84.306 ± 0.008°
• γ: 83.175 ± 0.008°
• Cell volume: 1861.5 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0881
• Residual factor for significantly intense reflections: 0.0451
• Weighted residual factors for significantly intense reflections: 0.1085
• Weighted residual factors for all reflections included in the refinement: 0.1183
• Goodness-of-fit parameter for all reflections included in the refinement: 0.81
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes