Information card for entry 1549867

Structure parameters

• Formula: C35 H36 N2 O6
• Calculated formula: C35 H36 N2 O6
• SMILES: O=C(c1ccc(/N=C/c2c(O)cc(OCCCC)cc2)cc1)Oc1cc(/N=C/c2c(O)cc(OCCCC)cc2)ccc1
• Title of publication: Origin of green photoluminescence in four-ring bent-core molecules with ESIPT, selective sensing of zinc ions by turn-on emission and their liquid crystal properties.
• Authors of publication: Gude, Venkatesh; Rout, Duttanjali; Panigrahi, Mruganka Kumar; Biradha, Kumar
• Journal of publication: Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology
• Year of publication: 2018
• Journal volume: 17
• Journal issue: 10
• Pages of publication: 1386 - 1395
• a: 6.5854 ± 0.0011 Å
• b: 61.276 ± 0.008 Å
• c: 7.3258 ± 0.0011 Å
• α: 90°
• β: 90.629 ± 0.011°
• γ: 90°
• Cell volume: 2956 ± 0.8 ų
• Cell temperature: 162 ± 2 K
• Ambient diffraction temperature: 162 ± 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: 0.2373
• Residual factor for significantly intense reflections: 0.0885
• Weighted residual factors for significantly intense reflections: 0.1757
• Weighted residual factors for all reflections included in the refinement: 0.2178
• Goodness-of-fit parameter for all reflections included in the refinement: 0.835
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No