Information card for entry 1505373

Structure parameters

• Formula: C16 H21 N O3 Si
• Calculated formula: C16 H21 N O3 Si
• SMILES: c1(ccc(cc1)N1C(=O)[C@H]([C@]1(C)C#C[Si](C)(C)C)O)OC
• Title of publication: Fischer carbene catalysis of alkynol cycloisomerization: application to the synthesis of the altromycin B disaccharide.
• Authors of publication: Koo, Bonsuk; McDonald, Frank E.
• Journal of publication: Organic letters
• Year of publication: 2007
• Journal volume: 9
• Journal issue: 9
• Pages of publication: 1737 - 1740
• a: 10.6408 ± 0.0008 Å
• b: 6.0649 ± 0.0005 Å
• c: 13.6002 ± 0.001 Å
• α: 90°
• β: 101.346 ± 0.004°
• γ: 90°
• Cell volume: 860.54 ± 0.12 ų
• Cell temperature: 446 ± 2 K
• Ambient diffraction temperature: 446 ± 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: 0.0293
• Residual factor for significantly intense reflections: 0.0279
• Weighted residual factors for significantly intense reflections: 0.0716
• Weighted residual factors for all reflections included in the refinement: 0.0729
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No