Information card for entry 7061725

Structure parameters

• Formula: C32 H28 N2 O5
• Calculated formula: C32 H28 N2 O5
• SMILES: C(=C\C(=O)OC)/Oc1ccccc1C(=O)[C@H]1[C@H](c2ccc(C)cc2)[C@]2(C[C@]1(c1ccc(C)cc1)OC2=N)C#N.C(=C\C(=O)OC)/Oc1ccccc1C(=O)[C@@H]1[C@@H](c2ccc(C)cc2)[C@@]2(C[C@@]1(c1ccc(C)cc1)OC2=N)C#N
• Title of publication: Selective synthesis of multifunctionalized cyclopent-3-ene-1-carboxamides and 2-oxabicyclo[2.2.1]heptane derivatives
• Authors of publication: Zheng, Hui; Han, Ying; Xu, Feng-Shun; Sun, Jing; Yan, Chao-Guo
• Journal of publication: New Journal of Chemistry
• Year of publication: 2022
• Journal volume: 46
• Journal issue: 36
• Pages of publication: 17161 - 17166
• a: 13.7614 ± 0.0008 Å
• b: 28.2414 ± 0.0016 Å
• c: 7.8855 ± 0.0005 Å
• α: 90°
• β: 96.6362 ± 0.0018°
• γ: 90°
• Cell volume: 3044.1 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.1412
• Residual factor for significantly intense reflections: 0.0675
• Weighted residual factors for significantly intense reflections: 0.1753
• Weighted residual factors for all reflections included in the refinement: 0.1949
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No