Information card for entry 7239033

Structure parameters

• Formula: C36 H28 O
• Calculated formula: C36 H28 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: 10.131 ± 0.003 Å
• b: 10.15 ± 0.002 Å
• c: 14.682 ± 0.004 Å
• α: 99.93 ± 0.02°
• β: 93.55 ± 0.02°
• γ: 114.56 ± 0.03°
• Cell volume: 1337.5 ± 0.7 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291.15 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: 0.0672
• Residual factor for significantly intense reflections: 0.0451
• Weighted residual factors for significantly intense reflections: 0.1212
• Weighted residual factors for all reflections included in the refinement: 0.1409
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No