Information card for entry 7060345

Structure parameters

• Formula: C24 H24 N2 O6
• Calculated formula: C24 H24 N2 O6
• SMILES: C1N(C[C@]2(O[C@@H]([C@H]3[C@H]4O[C@]1([C@H]1[C@@H]4C(=O)N(C1=O)c1ccccc1)[C@@H]23)C=C)C=C)C(=O)OC.C1N(C[C@@]2(O[C@H]([C@@H]3[C@@H]4O[C@@]1([C@@H]1[C@H]4C(=O)N(C1=O)c1ccccc1)[C@H]23)C=C)C=C)C(=O)OC
• Title of publication: Synthesis and ethylene-promoted metathesis of adducts of tandem [4+2]/[4+2] cycloaddition between bis-furyl dienes and maleic acid derivatives
• Authors of publication: Kvyatkovskaya, Elizaveta A.; Epifanova, Polina P.; Nikitina, Eugeniya V.; Senin, Aleksey A.; Khrustalev, Victor N.; Polyanskii, Kirill B.; Zubkov, Fedor I.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2021
• Journal volume: 45
• Journal issue: 7
• Pages of publication: 3400 - 3407
• a: 32.91 ± 0.004 Å
• b: 5.5297 ± 0.0007 Å
• c: 26.685 ± 0.004 Å
• α: 90°
• β: 106.912 ± 0.003°
• γ: 90°
• Cell volume: 4646.2 ± 1.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1329
• Residual factor for significantly intense reflections: 0.0628
• Weighted residual factors for significantly intense reflections: 0.1332
• Weighted residual factors for all reflections included in the refinement: 0.1667
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No