Information card for entry 4033768

Structure parameters

• Common name: JSRL496.Rx
• Formula: C32 H28 O4
• Calculated formula: C32 H28 O4
• SMILES: C1(c2ccccc2C(c2ccccc12)(C(=O)OC)Cc1ccccc1)(C(=O)OC)Cc1ccccc1
• Title of publication: C-C Bond-Forming and Bond-Breaking Processes from the Reaction of Diesters with Me₃SnLi. Synthesis of Complex Bridged Polycycles and Dialkyl Aromatic Compounds.
• Authors of publication: Martínez-García, Lucas; Lobato, Rubén; Prado, Gustavo; Monje, Pablo; Sardina, F. Javier; Paleo, M. Rita
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2019
• Journal volume: 84
• Journal issue: 4
• Pages of publication: 1887 - 1897
• a: 9.8186 ± 0.0007 Å
• b: 14.6173 ± 0.0007 Å
• c: 17.1072 ± 0.0011 Å
• α: 90°
• β: 99.379 ± 0.002°
• γ: 90°
• Cell volume: 2422.4 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• 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: 0.0898
• Residual factor for significantly intense reflections: 0.0495
• Weighted residual factors for significantly intense reflections: 0.1051
• Weighted residual factors for all reflections included in the refinement: 0.1227
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No