Information card for entry 1568174

Structure parameters

• Formula: C35 H28 O11 P
• Calculated formula: C35 H28 O11 P
• SMILES: P1(=O)(Oc2c(cc3c(cccc3)c2c2c3ccccc3cc(c2O1)c1ccc(C(=O)O)cc1)c1ccc(C(=O)O)cc1)O.OCC.O.O.O
• Title of publication: A chiral BINOL-based supramolecular gel enabling sensitive enantioselective and chemoselective collapse toward histidine.
• Authors of publication: Jiang, Yixuan; Huang, Zeng; Tian, Jun; Dong, Xin; Yu, Xiao-Qi; Yu, Shanshan
• Journal of publication: Soft matter
• Year of publication: 2023
• Journal volume: 19
• Journal issue: 3
• Pages of publication: 430 - 435
• a: 13.6884 ± 0.0007 Å
• b: 17.0653 ± 0.001 Å
• c: 28.5141 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6660.8 ± 0.6 ų
• Cell temperature: 302 ± 2 K
• Ambient diffraction temperature: 302 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1117
• Residual factor for significantly intense reflections: 0.0561
• Weighted residual factors for significantly intense reflections: 0.1216
• Weighted residual factors for all reflections included in the refinement: 0.148
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No