Information card for entry 7227329

Structure parameters

• Formula: C15 H14 N2 O7
• Calculated formula: C15 H14 N2 O7
• SMILES: O(C)C(=O)C(NC(=O)c1cc2cc(N(=O)=O)ccc2oc1=O)(C)C
• 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: 7.847 ± 0.0003 Å
• b: 14.249 ± 0.0008 Å
• c: 15.0925 ± 0.0008 Å
• α: 118 ± 0.006°
• β: 90.705 ± 0.004°
• γ: 92.192 ± 0.004°
• Cell volume: 1488.03 ± 0.15 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0471
• Residual factor for significantly intense reflections: 0.0373
• Weighted residual factors for significantly intense reflections: 0.0895
• Weighted residual factors for all reflections included in the refinement: 0.0967
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No