Information card for entry 4514866

Structure parameters

• Formula: C27 H32 O3
• Calculated formula: C27 H32 O3
• SMILES: O([C@@]1(c2ccccc2C=C1c1ccccc1)C(=O)OC)[C@@H]1C[C@@H](CC[C@H]1C(C)C)C
• Title of publication: Selective Vinylogous Reactivity of Carbene Intermediate in Gold-Catalyzed Alkyne Carbocyclization: Synthesis of Indenols
• Authors of publication: Zhang, Cheng; Li, Hongli; Pei, Chao; Qiu, Lihua; Hu, Wenhao; Bao, Xiaoguang; Xu, Xinfang
• Journal of publication: ACS Catalysis
• Year of publication: 2019
• Journal volume: 9
• Journal issue: 3
• Pages of publication: 2440
• a: 9.72 ± 0.002 Å
• b: 7.5084 ± 0.0018 Å
• c: 16.171 ± 0.004 Å
• α: 90°
• β: 94.588 ± 0.007°
• γ: 90°
• Cell volume: 1176.4 ± 0.5 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120.02 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.11
• Residual factor for significantly intense reflections: 0.0554
• Weighted residual factors for significantly intense reflections: 0.1149
• Weighted residual factors for all reflections included in the refinement: 0.1346
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No