Information card for entry 4112568

Structure parameters

• Formula: C38 H49 O2
• Calculated formula: C38 H49 O2
• Title of publication: Contingency and Serendipity in the Reactions of Fischer Carbene Complexes with Conjugated Triynes
• Authors of publication: May Xiao-Wu Jiang; Manish Rawat; William D. Wulff
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2004
• Journal volume: 126
• Pages of publication: 5970 - 5971
• a: 13.11 ± 0.003 Å
• b: 12.268 ± 0.003 Å
• c: 19.15 ± 0.004 Å
• α: 90°
• β: 100.39 ± 0.03°
• γ: 90°
• Cell volume: 3029.5 ± 1.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 3
• 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: 0.1957
• Residual factor for significantly intense reflections: 0.0784
• Weighted residual factors for significantly intense reflections: 0.1828
• Weighted residual factors for all reflections included in the refinement: 0.2259
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No