Information card for entry 1513831

Structure parameters

• Formula: C23 H38 I N O5 Si2
• Calculated formula: C23 H38 I N O5 Si2
• Title of publication: A Convergent Synthesis of the Fully Elaborated Macrocyclic Core of TMC-95A.
• Authors of publication: Coste, Alexis; Bayle, Alexandre; Marrot, Jérome; Evano, Gwilherm
• Journal of publication: Organic letters
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 5
• Pages of publication: 1306 - 1309
• a: 15.6616 ± 0.0006 Å
• b: 36.288 ± 0.0012 Å
• c: 19.8167 ± 0.0007 Å
• α: 90°
• β: 93.443 ± 0.002°
• γ: 90°
• Cell volume: 11242.1 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1305
• Residual factor for significantly intense reflections: 0.0744
• Weighted residual factors for significantly intense reflections: 0.1857
• Weighted residual factors for all reflections included in the refinement: 0.2164
• 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: Yes
• Has Fobs: No