Information card for entry 1505529

Structure parameters

• Formula: C20 H16 O2
• Calculated formula: C20 H16 O2
• SMILES: COC1(C#C)c2ccccc2C(c2c1cccc2)(OC)C#C
• Title of publication: Triptycenediols by rhodium-catalyzed [2+2+2] cycloaddition.
• Authors of publication: Taylor, Mark S.; Swager, Timothy M.
• Journal of publication: Organic letters
• Year of publication: 2007
• Journal volume: 9
• Journal issue: 18
• Pages of publication: 3695 - 3697
• a: 19.365 ± 0.004 Å
• b: 11.66 ± 0.002 Å
• c: 15.931 ± 0.003 Å
• α: 90°
• β: 124.003 ± 0.003°
• γ: 90°
• Cell volume: 2982.1 ± 1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0651
• Residual factor for significantly intense reflections: 0.0484
• Weighted residual factors for significantly intense reflections: 0.1217
• Weighted residual factors for all reflections included in the refinement: 0.1335
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No