Information card for entry 7210663

Structure parameters

• Common name: 2-(4-Dimethylaminostylbyl)idene malonic acid dimethyl ester
• Chemical name: 2-(4-Dimethylaminostylbyl)idene malonic acid dimethyl ester
• Formula: C22 H23 N O4
• Calculated formula: C22 H23 N O4
• Title of publication: Switching of emissive and NLO properties in push-pull chromophores with crescent PPV-like structures.
• Authors of publication: Coluccini, Carmine; Sharma, Arvind K.; Caricato, Marco; Sironi, Angelo; Cariati, Elena; Righetto, Stefania; Tordin, Elisa; Botta, Chiara; Forni, Alessandra; Pasini, Dario
• Journal of publication: Physical chemistry chemical physics : PCCP
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 5
• Pages of publication: 1666 - 1674
• a: 9.931 ± 0.0018 Å
• b: 10.078 ± 0.0019 Å
• c: 19.577 ± 0.004 Å
• α: 99.024 ± 0.002°
• β: 93.008 ± 0.003°
• γ: 103.845 ± 0.002°
• Cell volume: 1870.6 ± 0.6 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1438
• Residual factor for significantly intense reflections: 0.0539
• Weighted residual factors for significantly intense reflections: 0.098
• Weighted residual factors for all reflections included in the refinement: 0.1275
• Goodness-of-fit parameter for all reflections included in the refinement: 0.951
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No