Information card for entry 7058328

Structure parameters

• Formula: C15 H15 N3 O7
• Calculated formula: C15 H15 N3 O7
• 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: 7.435 ± 0.002 Å
• b: 7.636 ± 0.002 Å
• c: 14.212 ± 0.004 Å
• α: 90°
• β: 95.87 ± 0.02°
• γ: 90°
• Cell volume: 802.6 ± 0.4 ų
• Cell temperature: 226 ± 2 K
• Ambient diffraction temperature: 226 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0678
• Residual factor for significantly intense reflections: 0.0478
• Weighted residual factors for significantly intense reflections: 0.1173
• Weighted residual factors for all reflections included in the refinement: 0.1352
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No