Information card for entry 7133571

Structure parameters

• Formula: C22 H21 I N6
• Calculated formula: C22 H21 I N6
• Title of publication: Neutral and ionic <i>N</i>-methyl phenylazo-3,5-(di-2-pyridyl)pyrazole photoswitches: probes for reversible pH modulation by light.
• Authors of publication: Singh, Sapna; Velloth, Archana; Rajani, ?; Goyal, Manu; Kaur, Navneet; Singh, Sanjay; Venkataramani, Sugumar
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2024
• Journal volume: 60
• Journal issue: 77
• Pages of publication: 10776 - 10779
• a: 11.6528 ± 0.0009 Å
• b: 18.0105 ± 0.001 Å
• c: 10.8343 ± 0.0008 Å
• α: 90°
• β: 106.939 ± 0.008°
• γ: 90°
• Cell volume: 2175.2 ± 0.3 ų
• Cell temperature: 250 ± 0.1 K
• Ambient diffraction temperature: 250.15 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.054
• Residual factor for significantly intense reflections: 0.0366
• Weighted residual factors for significantly intense reflections: 0.0776
• Weighted residual factors for all reflections included in the refinement: 0.0905
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No