Information card for entry 7154150

Structure parameters

• Common name: LCLT517B
• Formula: C27 H56 O6 Si3
• Calculated formula: C27 H56 O6 Si3
• SMILES: [C@@]12([C@H]([C@@H](C[C@](C1)(O[Si](C)(C)C(C)(C)C)C(=O)OC)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)OC2
• Title of publication: Irreversible covalent modification of type I dehydroquinase with a stable Schiff base.
• Authors of publication: Tizón, Lorena; Maneiro, María; Peón, Antonio; Otero, José M; Lence, Emilio; Poza, Sergio; van Raaij, Mark J.; Thompson, Paul; Hawkins, Alastair R.; González-Bello, Concepción
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2015
• Journal volume: 13
• Journal issue: 3
• Pages of publication: 706 - 716
• a: 24.9085 ± 0.0009 Å
• b: 7.8916 ± 0.0003 Å
• c: 16.9244 ± 0.0007 Å
• α: 90°
• β: 98.392 ± 0.002°
• γ: 90°
• Cell volume: 3291.2 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0704
• Residual factor for significantly intense reflections: 0.0483
• Weighted residual factors for significantly intense reflections: 0.0857
• Weighted residual factors for all reflections included in the refinement: 0.0958
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No