Information card for entry 7060967

Structure parameters

• Formula: C14 H22 Cu N2 O7
• Calculated formula: C14 H22 Cu N2 O7
• SMILES: [Cu]12([NH]3CCC[C@H]3C(=O)O1)[NH2][C@H](C(=O)O2)Cc1ccc(cc1)O.O.O
• Title of publication: How the magnetic field impacts the chiroptical activities of helical copper enantiomers
• Authors of publication: Wu, Jialu; Li, Bo; Wang, Hong; Lai, Yingzhen; Ye, Yue; Zou, Yongkang; Tian, Jumei; Xu, Yaohua
• Journal of publication: New Journal of Chemistry
• Year of publication: 2021
• Journal volume: 45
• Journal issue: 42
• Pages of publication: 20021 - 20027
• a: 11.386 ± 0.0002 Å
• b: 5.6909 ± 0.0001 Å
• c: 12.4062 ± 0.0002 Å
• α: 90°
• β: 102.327 ± 0.002°
• γ: 90°
• Cell volume: 785.35 ± 0.02 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0229
• Residual factor for significantly intense reflections: 0.0227
• Weighted residual factors for significantly intense reflections: 0.0587
• Weighted residual factors for all reflections included in the refinement: 0.0591
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No