Information card for entry 4035699

Structure parameters

• Formula: C32 H26 O4
• Calculated formula: C32 H26 O4
• SMILES: O(c1c(c2c(OCOC)ccc3c2cccc3)c2c(cc1C#Cc1ccccc1)cccc2)COC
• Title of publication: Synthesis of Furan-Annelated BINOL Derivatives: Acid-Catalyzed Cyclization Induces Partial Racemization.
• Authors of publication: Octa-Smolin, Frescilia; van der Vight, Felix; Yadav, Rohan; Bhangu, Jasmine; Soloviova, Kateryna; Wölper, Christoph; Daniliuc, Constantin G.; Strassert, Cristian A.; Somnitz, Holger; Jansen, Georg; Niemeyer, Jochen
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2018
• Journal volume: 83
• Journal issue: 23
• Pages of publication: 14568 - 14587
• a: 11.105 ± 0.0008 Å
• b: 11.4637 ± 0.0008 Å
• c: 11.6332 ± 0.0008 Å
• α: 68.869 ± 0.003°
• β: 68.313 ± 0.003°
• γ: 64.712 ± 0.003°
• Cell volume: 1207.52 ± 0.15 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.056
• Residual factor for significantly intense reflections: 0.0488
• Weighted residual factors for significantly intense reflections: 0.1371
• Weighted residual factors for all reflections included in the refinement: 0.1463
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No