Information card for entry 7218873

Structure parameters

• Formula: C22 H24 N2 O S
• Calculated formula: C22 H24 N2 O S
• Title of publication: Polarization, second-order nonlinear optical properties and electrochromism in 4H-pyranylidene chromophores with a quinoid/aromatic thiophene ring bridge
• Authors of publication: Marco, A. Belén; Mayorga Burrezo, Paula; Mosteo, Laura; Franco, Santiago; Garin, Javier; Orduna, Jesús; Diosdado, Beatriz; Villacampa, Belén; López Navarrete, Juan T.; Casado, Juan; Andreu, Raquel
• Journal of publication: RSC Adv.
• Year of publication: 2014
• a: 9.1986 ± 0.0013 Å
• b: 6.8265 ± 0.001 Å
• c: 17.101 ± 0.003 Å
• α: 90°
• β: 105.222 ± 0.016°
• γ: 90°
• Cell volume: 1036.2 ± 0.3 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 5
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.1895
• Residual factor for significantly intense reflections: 0.1046
• Weighted residual factors for significantly intense reflections: 0.2063
• Weighted residual factors for all reflections included in the refinement: 0.2475
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No