Information card for entry 4028494

Structure parameters

• Formula: C24 H27 N O3
• Calculated formula: C24 H27 N O3
• SMILES: O=C1O[C@H]([C@@H](OC(c2ccccc2)c2ccccc2)[C@@H]2N1CCCC2)CC=C
• Title of publication: Total Synthesis and Glycosidase Inhibition of Broussonetine I and J2
• Authors of publication: Hui Zhao; Atsushi Kato; Kasumi Sato; Yue-Mei Jia; Chu-Yi Yu
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2013
• Journal volume: 78
• Pages of publication: 7896 - 7902
• a: 5.8867 ± 0.0012 Å
• b: 17.738 ± 0.004 Å
• c: 9.807 ± 0.002 Å
• α: 90°
• β: 90.84 ± 0.03°
• γ: 90°
• Cell volume: 1023.9 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0641
• Residual factor for significantly intense reflections: 0.0578
• Weighted residual factors for significantly intense reflections: 0.0908
• Weighted residual factors for all reflections included in the refinement: 0.0935
• Goodness-of-fit parameter for all reflections included in the refinement: 1.134
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No