Information card for entry 7123009

Structure parameters

• Formula: C20 H18 N6
• Calculated formula: C20 H18 N6
• Title of publication: A reversible photoresponsive activity of a carbonic anhydrase mimic
• Authors of publication: Saha, Monochura; Bandyopadhyay, Subhajit
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 21.6141 ± 0.0019 Å
• b: 5.8209 ± 0.0006 Å
• c: 14.151 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1780.4 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 33
• Hermann-Mauguin space group symbol: P 21 c n
• Hall space group symbol: P -2n 2a
• Residual factor for all reflections: 0.0716
• Residual factor for significantly intense reflections: 0.0517
• Weighted residual factors for significantly intense reflections: 0.1256
• Weighted residual factors for all reflections included in the refinement: 0.1495
• Goodness-of-fit parameter for all reflections included in the refinement: 0.825
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No