Information card for entry 7227328

Structure parameters

• Formula: C11 H7 N O6
• Calculated formula: C11 H7 N O6
• SMILES: O1c2c(C=C(C1=O)C(=O)OC)cc(cc2)N(=O)=O
• Title of publication: Packing-induced solid-state fluorescence and thermochromic behavior of peptidic luminophores
• Authors of publication: Pramanik, Apurba; Haldar, Debasish
• Journal of publication: RSC Adv.
• Year of publication: 2017
• Journal volume: 7
• Journal issue: 1
• Pages of publication: 389
• a: 20.178 ± 0.002 Å
• b: 4.0966 ± 0.0004 Å
• c: 25.538 ± 0.002 Å
• α: 90°
• β: 99.66 ± 0.009°
• γ: 90°
• Cell volume: 2081.1 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.0844
• Residual factor for significantly intense reflections: 0.0641
• Weighted residual factors for significantly intense reflections: 0.1602
• Weighted residual factors for all reflections included in the refinement: 0.1721
• Goodness-of-fit parameter for all reflections included in the refinement: 1.153
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No