Information card for entry 7060344

Structure parameters

• Formula: C14 H12 O6
• Calculated formula: C14 H12 O6
• SMILES: C1OC[C@@]23C=C[C@@H](O2)[C@H]2[C@H]4O[C@]1([C@H]1[C@@H]4C(=O)OC1=O)[C@@H]32.C1OC[C@]23C=C[C@H](O2)[C@@H]2[C@@H]4O[C@@]1([C@@H]1[C@H]4C(=O)OC1=O)[C@H]32
• 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: 10.6953 ± 0.0002 Å
• b: 10.0575 ± 0.0002 Å
• c: 11.252 ± 0.0002 Å
• α: 90°
• β: 113.454 ± 0.001°
• γ: 90°
• Cell volume: 1110.36 ± 0.04 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0316
• Residual factor for significantly intense reflections: 0.0295
• Weighted residual factors for significantly intense reflections: 0.0739
• Weighted residual factors for all reflections included in the refinement: 0.0752
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No