Information card for entry 1518833

Structure parameters

• Formula: C22 H24 N2 O6
• Calculated formula: C22 H24 N2 O6
• SMILES: Oc1c2C(=O)N(C(=O)c2c(O)c2C(=O)N(C(=O)c12)C1CCCCC1)C1CCCCC1
• Title of publication: Polyimide and Imide Compound Exhibiting Bright Red Fluorescence with Very Large Stokes Shifts via Excited-State Intramolecular Proton Transfer
• Authors of publication: Kanosue, Kenta; Shimosaka, Takamichi; Wakita, Junji; Ando, Shinji
• Journal of publication: Macromolecules
• Year of publication: 2015
• Journal volume: 48
• Journal issue: 6
• Pages of publication: 1777
• a: 5.12219 ± 0.0001 Å
• b: 5.25881 ± 0.0001 Å
• c: 17.6394 ± 0.0004 Å
• α: 95.2896 ± 0.0013°
• β: 92.3561 ± 0.0014°
• γ: 101.217 ± 0.0013°
• Cell volume: 463.236 ± 0.017 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0706
• Residual factor for significantly intense reflections: 0.0547
• Weighted residual factors for significantly intense reflections: 0.1537
• Weighted residual factors for all reflections included in the refinement: 0.1603
• Goodness-of-fit parameter for all reflections included in the refinement: 1.122
• Diffraction radiation wavelength: 1.54186 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No