Information card for entry 7158231

Structure parameters

• Formula: C33 H26 N2 O4
• Calculated formula: C33 H26 N2 O4
• SMILES: C(#N)c1c(c2ccc(C)cc2)oc(c2cc3c(cc2)cc(cc3)OC)c1C(=C(c1ccc(C)cc1)\O)\C(=O)N
• Title of publication: A one-pot ring-closure and ring-opening sequence for the cascade synthesis of dihydrofurofurans and functionalized furans.
• Authors of publication: Yadav, Maruti B.; Jeong, Yeon Tae
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2021
• Journal volume: 19
• Journal issue: 34
• Pages of publication: 7409 - 7419
• a: 17.799 ± 0.003 Å
• b: 9.2371 ± 0.0019 Å
• c: 18.139 ± 0.003 Å
• α: 90°
• β: 114.941 ± 0.004°
• γ: 90°
• Cell volume: 2704.1 ± 0.9 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 4
• 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: 0.2063
• Residual factor for significantly intense reflections: 0.0629
• Weighted residual factors for significantly intense reflections: 0.1336
• Weighted residual factors for all reflections included in the refinement: 0.2023
• Goodness-of-fit parameter for all reflections included in the refinement: 0.989
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No