Information card for entry 7239032

Structure parameters

• Formula: C41 H38 O
• Calculated formula: C41 H35 O
• Title of publication: Synthesis of cyclopentadienyl alkyl ethers via Pd-catalyzed cyclotrimerization of diarylacetylenes
• Authors of publication: Cai, Ranran; Huang, Mengmeng; Cui, Xiuling; Zhang, Jianye; Du, Chenxia; Wu, Yusheng; Wu, Yangjie
• Journal of publication: RSC Advances
• Year of publication: 2013
• Journal volume: 3
• Journal issue: 32
• Pages of publication: 13140
• a: 19.936 ± 0.0009 Å
• b: 7.9365 ± 0.0003 Å
• c: 25.6157 ± 0.0014 Å
• α: 90°
• β: 127.958 ± 0.003°
• γ: 90°
• Cell volume: 3195.6 ± 0.3 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291.15 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0951
• Residual factor for significantly intense reflections: 0.0764
• Weighted residual factors for significantly intense reflections: 0.2249
• Weighted residual factors for all reflections included in the refinement: 0.2499
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No