Information card for entry 1553722

Structure parameters

• Formula: C14 H15 N O4
• Calculated formula: C14 H15 N O4
• SMILES: N(c1cc2oc(=O)c(cc2cc1)C(=O)O)(CC)CC
• Title of publication: Solid-state fluorescent materials based on coumarin derivatives: polymorphism, stimuli-responsive emission, self-assembly and optical waveguides
• Authors of publication: Cui, Rong Rong; Lv, Yuan Chao; Zhao, Yong Sheng; Zhao, Na; Li, Nan
• Journal of publication: Materials Chemistry Frontiers
• Year of publication: 2018
• Journal volume: 2
• Journal issue: 5
• Pages of publication: 910
• a: 5.0788 ± 0.0003 Å
• b: 10.061 ± 0.0007 Å
• c: 12.9069 ± 0.0008 Å
• α: 76.261 ± 0.005°
• β: 80.914 ± 0.005°
• γ: 81.176 ± 0.005°
• Cell volume: 627.97 ± 0.07 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: 0.0773
• Residual factor for significantly intense reflections: 0.0539
• Weighted residual factors for significantly intense reflections: 0.1611
• Weighted residual factors for all reflections included in the refinement: 0.1811
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No