Information card for entry 7227330

Structure parameters

• Formula: C25 H19 N3 O10
• Calculated formula: C25 H19 N3 O10
• SMILES: c1c(ccc2c1C=C(C(=O)O2)C(=O)Nc1ccc2c(c1)C=C(C(=O)O2)C(=O)NC(C)(C)C(=O)OC)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: 7.858 ± 0.0008 Å
• b: 11.5608 ± 0.0012 Å
• c: 13.8689 ± 0.0011 Å
• α: 108.556 ± 0.008°
• β: 94.723 ± 0.007°
• γ: 91.871 ± 0.008°
• Cell volume: 1188.1 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1181
• Residual factor for significantly intense reflections: 0.0726
• Weighted residual factors for significantly intense reflections: 0.1679
• Weighted residual factors for all reflections included in the refinement: 0.1887
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No