Information card for entry 1512585

Structure parameters

• Formula: C28 H45 N O9 Si
• Calculated formula: C28 H45 N O9 Si
• SMILES: [Si](O[C@@H]1[C@H](O[C@@H]([C@H](OCc2ccccc2)C(=O)N(OC)C)[C@H](C)[C@H]1OC(=O)C)CC(=O)OC)(CC)(CC)CC
• Title of publication: Exploiting pseudo c2-symmetry for an efficient synthesis of the f-ring of the spongistatins.
• Authors of publication: Tanis, Paul S.; Infantine, Joshua R.; Leighton, James L.
• Journal of publication: Organic letters
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 21
• Pages of publication: 5464 - 5467
• a: 9.6627 ± 0.0007 Å
• b: 13.449 ± 0.0009 Å
• c: 12.0884 ± 0.0008 Å
• α: 90°
• β: 90.961 ± 0.001°
• γ: 90°
• Cell volume: 1570.71 ± 0.19 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0515
• Residual factor for significantly intense reflections: 0.0444
• Weighted residual factors for significantly intense reflections: 0.114
• Weighted residual factors for all reflections included in the refinement: 0.1201
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No