Information card for entry 7126534

Structure parameters

• Formula: C27 H28 N2 O5
• Calculated formula: C27 H28 N2 O5
• Title of publication: Additive- and column-free synthesis of rigid bis-coumarins as fluorescent dyes for G-quadruplex sensing via disaggregation-induced emission.
• Authors of publication: He, Hui-Zi; Li, Kun; Yu, Kang-Kang; Lu, Pei-Long; Feng, Mei-Lin; Chen, Shan-Yong; Yu, Xiao-Qi
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 50
• Pages of publication: 6870 - 6873
• a: 5.1905 ± 0.0005 Å
• b: 9.3677 ± 0.0007 Å
• c: 23.713 ± 0.003 Å
• α: 90°
• β: 94.729 ± 0.012°
• γ: 90°
• Cell volume: 1149.1 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293.15 K
• Number of distinct elements: 4
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.1006
• Residual factor for significantly intense reflections: 0.063
• Weighted residual factors for significantly intense reflections: 0.152
• Weighted residual factors for all reflections included in the refinement: 0.1644
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No