Information card for entry 1503299

Structure parameters

• Formula: C27 H28 O3 Si
• Calculated formula: C27 H28 O3 Si
• SMILES: c1(ccccc1)[Si](c1ccccc1)(c1ccccc1)[C@H]1COC(=O)[C@@]21[C@@](CCC2)(C)O.c1(ccccc1)[Si](c1ccccc1)(c1ccccc1)[C@@H]1COC(=O)[C@]21[C@](CCC2)(C)O
• Title of publication: SmI~2~-mediated radical cyclizations directed by a C-Si bond
• Authors of publication: Harb, Hassan Y.; Collins, Karl D.; Garcia Altur, Jose V.; Bowker, Sue; Campbell, Leonie; Procter, David J.
• Journal of publication: Organic Letters
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 23
• Pages of publication: 5446 - 5449
• a: 19.059 ± 0.003 Å
• b: 10.62 ± 0.002 Å
• c: 11.276 ± 0.002 Å
• α: 90°
• β: 102.039 ± 0.004°
• γ: 90°
• Cell volume: 2232.1 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0586
• Residual factor for significantly intense reflections: 0.0432
• Weighted residual factors for significantly intense reflections: 0.1014
• Weighted residual factors for all reflections included in the refinement: 0.1072
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No