Information card for entry 1502481

Structure parameters

• Common name: Mattson 1804
• Formula: C32 H24 O3 Si
• Calculated formula: C32 H24 O3 Si
• SMILES: c12c(c3ccccc3cc1c1ccccc1)c1c(c(cc3c1cccc3)c1ccccc1)[Si]2(O)O.O
• Title of publication: Silanediols: a new class of hydrogen bond donor catalysts.
• Authors of publication: Schafer, Andrew G.; Wieting, Joshua M.; Mattson, Anita E.
• Journal of publication: Organic letters
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 19
• Pages of publication: 5228 - 5231
• a: 7.1095 ± 0.0001 Å
• b: 13.99 ± 0.0001 Å
• c: 25.1839 ± 0.0002 Å
• α: 90°
• β: 90.451 ± 0.001°
• γ: 90°
• Cell volume: 2504.76 ± 0.04 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0693
• Residual factor for significantly intense reflections: 0.0429
• Weighted residual factors for significantly intense reflections: 0.1103
• Weighted residual factors for all reflections included in the refinement: 0.1234
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No