Information card for entry 5000304

Structure parameters

• Formula: C17 H22 Cr O5 Si
• Calculated formula: C17 H22 Cr O5 Si
• SMILES: [Cr]12345([c]67[c]5([C@H](O[Si](C)(C)C)C([C@@H]6O)(C)C)[cH]4[cH]3[cH]2[cH]17)(C#[O])(C#[O])C#[O].[Cr]12345([c]67[c]5([C@@H](O[Si](C)(C)C)C([C@H]6O)(C)C)[cH]4[cH]3[cH]2[cH]17)(C#[O])(C#[O])C#[O]
• Title of publication: Stereocontrolled [3 + 2] Annulations with Arene Chromium Tricarbonyl Complexes: Construction of Spirocyclic Compounds Related to Fredericamycin A
• Authors of publication: Moser, William H.; Zhang, Jian; Lecher, Carl S.; Frazier, Tracy L.; Pink, Maren
• Journal of publication: Organic Letters
• Year of publication: 2002
• Journal volume: 4
• Journal issue: 12
• Pages of publication: 1981 - 1984
• a: 6.4814 ± 0.0002 Å
• b: 10.6477 ± 0.0004 Å
• c: 13.9211 ± 0.0005 Å
• α: 98.761 ± 0.001°
• β: 91.012 ± 0.001°
• γ: 104.237 ± 0.001°
• Cell volume: 918.83 ± 0.06 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0487
• Residual factor for significantly intense reflections: 0.0353
• Weighted residual factors for significantly intense reflections: 0.0877
• Weighted residual factors for all reflections included in the refinement: 0.0942
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No