Information card for entry 2222304

Structure parameters

• Chemical name: <i>N</i>-[3-(2,6-Dimethylanilino)-1-methylbut-2-enylidene]-2,6-dimethylanilinium chloride
• Formula: C21 H27 Cl N2
• Calculated formula: C21 H27 Cl N2
• SMILES: [Cl-].c1(c(cccc1C)C)/[NH+]=C(C=C(Nc1c(cccc1C)C)C)/C
• Title of publication: <i>N</i>-[3-(2,6-Dimethylanilino)-1-methylbut-2-enylidene]-2,6-dimethylanilinium chloride
• Authors of publication: Jiménez-Pérez, Víctor M.; Bernès, Sylvain; Munõz, Blanca M.; Kharisov, Boris I.; Vela, Andrea V.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 7
• Pages of publication: o1671 - o1672
• a: 28.639 ± 0.005 Å
• b: 28.639 ± 0.005 Å
• c: 10.15 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8325 ± 3 ų
• Cell temperature: 298 ± 1 K
• Ambient diffraction temperature: 298 ± 1 K
• Cell measurement pressure: 101 ± 2 kPa
• Number of distinct elements: 4
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.1522
• Residual factor for significantly intense reflections: 0.062
• Weighted residual factors for significantly intense reflections: 0.1393
• Weighted residual factors for all reflections included in the refinement: 0.171
• Goodness-of-fit parameter for all reflections included in the refinement: 1.117
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes