Information card for entry 7058331

Structure parameters

• Formula: C16 H11 N3 O6
• Calculated formula: C16 H11 N3 O6
• Title of publication: Charge transfer complexes as colour changing and disappearing‒reappearing colour materials
• Authors of publication: Sharada, Durgam; Saha, Arijit; Saha, Binoy K.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2019
• Journal volume: 43
• Journal issue: 20
• Pages of publication: 7562
• a: 14.1553 ± 0.0018 Å
• b: 6.89 ± 0.0007 Å
• c: 15.942 ± 0.002 Å
• α: 90°
• β: 96.683 ± 0.012°
• γ: 90°
• Cell volume: 1544.3 ± 0.3 ų
• Cell temperature: 262 ± 0.02 K
• Ambient diffraction temperature: 262 ± 0.02 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: 0.1136
• Residual factor for significantly intense reflections: 0.0694
• Weighted residual factors for significantly intense reflections: 0.193
• Weighted residual factors for all reflections included in the refinement: 0.2315
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No