Information card for entry 1549866

Structure parameters

• Formula: C25 H35 N O3
• Calculated formula: C25 H35 N O3
• SMILES: [O-]c1c(/C=[NH+]/c2cc(O)ccc2)ccc(OCCCCCCCCCCCC)c1
• 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: 6.74 ± 0.002 Å
• b: 11.686 ± 0.004 Å
• c: 15.408 ± 0.005 Å
• α: 80.71 ± 0.02°
• β: 80.08 ± 0.02°
• γ: 74.51 ± 0.02°
• Cell volume: 1143.5 ± 0.7 ų
• Cell temperature: 300 ± 2 K
• Ambient diffraction temperature: 300 ± 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: 0.3784
• Residual factor for significantly intense reflections: 0.0883
• Weighted residual factors for significantly intense reflections: 0.1587
• Weighted residual factors for all reflections included in the refinement: 0.2393
• Goodness-of-fit parameter for all reflections included in the refinement: 0.755
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No