Information card for entry 7125825

Structure parameters

• Formula: C27 H22 N2 O2
• Calculated formula: C27 H22 N2 O2
• Title of publication: Twisted Schiff-base macrocycle showing excited-state intramolecular proton-transfer (ESIPT): assembly and sensing properties.
• Authors of publication: Yu, Qing; Zhang, Xiaodong; Wu, Shou-Ting; Chen, Huaiyu; Zhang, Qi-Long; Xu, Hong; Huang, Ya-Li; Zhu, Bi-Xue; Ni, Xin-Long
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 15
• Pages of publication: 2304 - 2307
• a: 44.109 ± 0.002 Å
• b: 10.1725 ± 0.0005 Å
• c: 9.6069 ± 0.0005 Å
• α: 90°
• β: 90.827 ± 0.002°
• γ: 90°
• Cell volume: 4310.2 ± 0.4 ų
• Cell temperature: 300 ± 2 K
• Ambient diffraction temperature: 300.02 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0686
• Residual factor for significantly intense reflections: 0.0538
• Weighted residual factors for significantly intense reflections: 0.1339
• Weighted residual factors for all reflections included in the refinement: 0.1438
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No