Information card for entry 7159441

Structure parameters

• Formula: C40 H26 O4
• Calculated formula: C40 H26 O4
• SMILES: o1c2c(c(c1c1ccc(Oc3ccccc3)cc1)c1c(oc3c1cccc3)c1ccc(Oc3ccccc3)cc1)cccc2
• Title of publication: Pd-catalyzed homo-coupling of benzofurans: one-pot synthesis of diverse 3,3'-bisbenzofurans.
• Authors of publication: Gugulothu, Kishan; Jatoth, Ramanna; Gudipati, Ramakrishna; Rajitha, Nampally; Dandela, Rambabu; Shiva Kumar, K.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2023
• Journal volume: 21
• Journal issue: 27
• Pages of publication: 5587 - 5591
• a: 12.3643 ± 0.0004 Å
• b: 7.5268 ± 0.0004 Å
• c: 31.4217 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2924.2 ± 0.2 ų
• Cell temperature: 296.71 K
• Ambient diffraction temperature: 296.71 K
• Number of distinct elements: 3
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.2374
• Residual factor for significantly intense reflections: 0.1349
• Weighted residual factors for significantly intense reflections: 0.3198
• Weighted residual factors for all reflections included in the refinement: 0.4051
• Goodness-of-fit parameter for all reflections included in the refinement: 1.154
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No