Information card for entry 4021852

Structure parameters

• Formula: C36 H36 O4
• Calculated formula: C36 H36 O4
• Title of publication: A Practical Synthesis of Bridged Diarylacetylenes
• Authors of publication: Ruchi Shukla; Daniel M. Brody; Sergey V. Lindeman; Rajendra Rathore
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2006
• Journal volume: 71
• Pages of publication: 6124 - 6129
• a: 29.66 ± 0.012 Å
• b: 4.99 ± 0.002 Å
• c: 22.643 ± 0.01 Å
• α: 90°
• β: 126.593 ± 0.006°
• γ: 90°
• Cell volume: 2691 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.1146
• Residual factor for significantly intense reflections: 0.0594
• Weighted residual factors for significantly intense reflections: 0.096
• Weighted residual factors for all reflections included in the refinement: 0.1109
• Goodness-of-fit parameter for all reflections included in the refinement: 0.916
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No