Information card for entry 7216074

Structure parameters

• Formula: C20 H18 Cd N2 O6
• Calculated formula: C20 H18 Cd N2 O6
• Title of publication: Exploring the synthesis of infinite helical chains with 2-carboxycinnamic acid
• Authors of publication: Li, F.; Ma, Z.; Wang, Y.-L.; Cao, R.; Bi, W.-H.; Li, X.
• Journal of publication: CrystEngComm
• Year of publication: 2005
• Journal volume: 7
• Journal issue: 92
• Pages of publication: 569
• a: 8.973 ± 0.002 Å
• b: 13.598 ± 0.003 Å
• c: 15.883 ± 0.004 Å
• α: 90°
• β: 95.179 ± 0.004°
• γ: 90°
• Cell volume: 1930.1 ± 0.8 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• 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: 0.038
• Residual factor for significantly intense reflections: 0.0321
• Weighted residual factors for significantly intense reflections: 0.0747
• Weighted residual factors for all reflections included in the refinement: 0.0799
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No