Information card for entry 7157330

Structure parameters

• Formula: C11 H10 N4 O2
• Calculated formula: C11 H10 N4 O2
• Title of publication: π-Extended push-pull azo-pyrrole photoswitches: synthesis, solvatochromism and optical band gaps.
• Authors of publication: Balam-Villarreal, J A; López-Mayorga, B J; Gallardo-Rosas, D; Toscano, R. A.; Carreón-Castro, M P; Basiuk, V. A.; Cortés-Guzmán, F; López-Cortés, J G; Ortega-Alfaro, M C
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2020
• Journal volume: 18
• Journal issue: 8
• Pages of publication: 1657 - 1670
• a: 7.345 ± 0.005 Å
• b: 7.435 ± 0.006 Å
• c: 11.625 ± 0.009 Å
• α: 74.87 ± 0.03°
• β: 89.96 ± 0.03°
• γ: 65.91 ± 0.03°
• Cell volume: 555.4 ± 0.7 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.1495
• Residual factor for significantly intense reflections: 0.093
• Weighted residual factors for significantly intense reflections: 0.2128
• Weighted residual factors for all reflections included in the refinement: 0.2433
• Goodness-of-fit parameter for all reflections included in the refinement: 1.126
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No