Information card for entry 4031989

Structure parameters

• Formula: C56 H57 F6 O P3 Ru
• Calculated formula: C56 H57 F6 O P3 Ru
• Title of publication: Domino Cyclization of 1,n-Enynes (n = 7, 8, 9) Giving Derivatives of Pyrane, Chromene, Fluorene, Phenanthrene and Dibenzo[7]annulene by Ruthenium Complexes.
• Authors of publication: Ma, Hao-Wei; Chen, Pei-Min; Lo, Ji-Xian; Lin, Ying-Chih; Huang, Shou-Ling; Chen, Chi-Ren; Chia, Pi-Yeh
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2016
• Journal volume: 81
• Journal issue: 11
• Pages of publication: 4494 - 4505
• a: 14.2112 ± 0.0004 Å
• b: 17.5594 ± 0.0007 Å
• c: 19.6273 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4897.8 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0507
• Residual factor for significantly intense reflections: 0.0429
• Weighted residual factors for significantly intense reflections: 0.0993
• Weighted residual factors for all reflections included in the refinement: 0.1045
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No