Information card for entry 7150876

Structure parameters

• Formula: C26 H28 O8
• Calculated formula: C26 H28 O8
• SMILES: c1(ccc(cc1)OC)C1=C(C(c2ccccc12)(C(=O)OCC)C(=O)OCC)COC(=O)OCC
• Title of publication: Palladium-catalyzed synthesis of indene derivatives via propargylic carbonates with in situ generated organozinc compounds
• Authors of publication: Guan, Zheng-Hui; Ren, Zhi-Hui; Zhao, Lian-Biao; Liang, Yong-Min
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2008
• Journal volume: 6
• Journal issue: 6
• Pages of publication: 1040 - 1045
• a: 8.5186 ± 0.0006 Å
• b: 14.4133 ± 0.0011 Å
• c: 19.634 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2410.7 ± 0.3 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 3
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0676
• Residual factor for significantly intense reflections: 0.0449
• Weighted residual factors for significantly intense reflections: 0.1131
• Weighted residual factors for all reflections included in the refinement: 0.1276
• 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: No
• Has Fobs: No