Information card for entry 4035421

Structure parameters

• Formula: C20 H23 N O8
• Calculated formula: C20 H23 N O8
• SMILES: O=C1OCCN1C(=O)[C@H]1[C@@H](c2cc(OC)ccc2)C1(C(=O)OCC)C(=O)OCC.O=C1OCCN1C(=O)[C@@H]1[C@H](c2cc(OC)ccc2)C1(C(=O)OCC)C(=O)OCC
• Title of publication: Stereocontrolled Synthesis of trans/ cis-2,3-Disubstituted Cyclopropane-1,1-diesters and Applications in the Syntheses of Furanolignans.
• Authors of publication: Shen, Yue; Chai, Jun; Yang, Gaosheng; Chen, Wenlong; Chai, Zhuo
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2018
• Journal volume: 83
• Journal issue: 20
• Pages of publication: 12549 - 12558
• a: 9.0367 ± 0.0009 Å
• b: 12.3766 ± 0.0012 Å
• c: 18.4225 ± 0.0017 Å
• α: 90°
• β: 100.833 ± 0.001°
• γ: 90°
• Cell volume: 2023.7 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0768
• Residual factor for significantly intense reflections: 0.0609
• Weighted residual factors for significantly intense reflections: 0.2166
• Weighted residual factors for all reflections included in the refinement: 0.2476
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No