Information card for entry 7127980

Structure parameters

• Formula: C27 H22 N2 O4
• Calculated formula: C27 H22 N2 O4
• SMILES: O=C1N(C(=O)[C@@H]2[C@@]3(O[C@@H](C=C3)[C@H]12)CO)c1ccc(cc1)N(c1ccccc1)c1ccccc1
• Title of publication: Controlling fluorescence resonance energy transfer of donor-acceptor dyes by Diels-Alder dynamic covalent bonds.
• Authors of publication: Cui, Yanhui; Li, Fen; Zhang, Xin
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2021
• Journal volume: 57
• Journal issue: 26
• Pages of publication: 3275 - 3278
• a: 5.3407 ± 0.0011 Å
• b: 12.745 ± 0.003 Å
• c: 18.872 ± 0.004 Å
• α: 90°
• β: 92.51 ± 0.03°
• γ: 90°
• Cell volume: 1283.3 ± 0.5 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0915
• Residual factor for significantly intense reflections: 0.0709
• Weighted residual factors for significantly intense reflections: 0.1819
• Weighted residual factors for all reflections included in the refinement: 0.1968
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No