Information card for entry 4112569

Structure parameters

• Formula: C17 H13 O2
• Calculated formula: C17 H13 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: 6.0219 ± 0.0012 Å
• b: 9.4637 ± 0.0019 Å
• c: 11.002 ± 0.002 Å
• α: 86.06 ± 0.03°
• β: 80.54 ± 0.03°
• γ: 86.94 ± 0.03°
• Cell volume: 616.4 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0576
• Residual factor for significantly intense reflections: 0.049
• Weighted residual factors for significantly intense reflections: 0.1396
• Weighted residual factors for all reflections included in the refinement: 0.1441
• Goodness-of-fit parameter for all reflections included in the refinement: 0.944
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No