Information card for entry 1572620

Structure parameters

• Formula: C44 H52 O12
• Calculated formula: C44 H52 O12
• SMILES: c1cc2c(cc1)cc1c(c2)c2OCCOCCOCCOCCOc3c4cc5ccccc5cc4c(OCCOCCOCCOCCOc1cc2)cc3.O.O
• Title of publication: An anthracene-containing crown ether: synthesis, host-guest properties and modulation of solid state luminescence.
• Authors of publication: Zhu, Weijie; Zhao, Bohan; Fang, Shuai; Zhu, Huangtianzhi; Huang, Feihe
• Journal of publication: Chemical science
• Year of publication: 2024
• Journal volume: 15
• Journal issue: 39
• Pages of publication: 16300 - 16306
• a: 29.2025 ± 0.0013 Å
• b: 6.5188 ± 0.0002 Å
• c: 23.6035 ± 0.0011 Å
• α: 90°
• β: 116.637 ± 0.001°
• γ: 90°
• Cell volume: 4016.4 ± 0.3 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 K
• Number of distinct elements: 3
• 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: 0.0569
• Residual factor for significantly intense reflections: 0.0422
• Weighted residual factors for significantly intense reflections: 0.1061
• Weighted residual factors for all reflections included in the refinement: 0.1178
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No