Information card for entry 7226887

Structure parameters

• Formula: C40 H40 N2 O5
• Calculated formula: C40 H40 N2 O5
• SMILES: c1(ccc2c(c1)C(=O)N(C2=O)c1c(cccc1C(C)C)C(C)C)Oc1ccc2c(c1)C(=O)N(C2=O)c1c(cccc1C(C)C)C(C)C
• Title of publication: V-shaped oxydiphthalimides: side-chain engineering regulates crystallisation-induced emission enhancement
• Authors of publication: Gopan, Gopika; Salini, P. S.; Deb, Somadrita; Hariharan, Mahesh
• Journal of publication: CrystEngComm
• Year of publication: 2017
• Journal volume: 19
• Journal issue: 3
• Pages of publication: 419
• a: 13.856 ± 0.0007 Å
• b: 20.5314 ± 0.0011 Å
• c: 13.6341 ± 0.0007 Å
• α: 90°
• β: 116.97 ± 0.002°
• γ: 90°
• Cell volume: 3456.8 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1039
• Residual factor for significantly intense reflections: 0.0554
• Weighted residual factors for significantly intense reflections: 0.1462
• Weighted residual factors for all reflections included in the refinement: 0.1906
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No