Information card for entry 1518037

Structure parameters

• Formula: C31 H31 O5 P
• Calculated formula: C31 H31 O5 P
• SMILES: P(=O)(c1ccccc1)(c1ccccc1)C1=C2C(CC(C1)(C(=O)OC)C(=O)OC)C(c1c2cccc1)(C)C
• Title of publication: Silver-promoted oxidative cyclization of 1,6-enynes: highly regioselective synthesis of phosphorated fluorene derivatives.
• Authors of publication: Zhou, Zhao-Zhao; Jin, Dong-Po; Li, Lian-Hua; He, Yu-Tao; Zhou, Ping-Xin; Yan, Xiao-Biao; Liu, Xue-Yuan; Liang, Yong-Min
• Journal of publication: Organic letters
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 21
• Pages of publication: 5616 - 5619
• a: 11.5189 ± 0.0013 Å
• b: 20.166 ± 0.002 Å
• c: 12.1082 ± 0.001 Å
• α: 90°
• β: 99.379 ± 0.01°
• γ: 90°
• Cell volume: 2775 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.1487
• Residual factor for significantly intense reflections: 0.0724
• Weighted residual factors for significantly intense reflections: 0.1549
• Weighted residual factors for all reflections included in the refinement: 0.2127
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No