Information card for entry 4033010

Structure parameters

• Formula: C40 H31 N3 O10
• Calculated formula: C40 H31 N3 O10
• SMILES: c1(ccccc1)C(=O)OC[C@H]1O[C@@H](On2c3c(nn2)cccc3)[C@H](OC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1
• Title of publication: Nucleofuge Generating Glycosidations by the Remote Activation of Hydroxybenzotriazolyl Glycosides.
• Authors of publication: Neralkar, Mahesh; Mishra, Bijoyananda; Hotha, Srinivas
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2017
• Journal volume: 82
• Journal issue: 21
• Pages of publication: 11494 - 11504
• a: 5.5783 ± 0.0006 Å
• b: 25.05 ± 0.003 Å
• c: 25.622 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3580.3 ± 0.7 ų
• Cell temperature: 99 ± 2 K
• Ambient diffraction temperature: 99 ± 2 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: 0.1757
• Residual factor for significantly intense reflections: 0.0782
• Weighted residual factors for significantly intense reflections: 0.1851
• Weighted residual factors for all reflections included in the refinement: 0.2318
• Goodness-of-fit parameter for all reflections included in the refinement: 1.122
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No