Information card for entry 7216076

Structure parameters

• Formula: C23 H24 Cd N2 O6
• Calculated formula: C23 H24 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: 9.19 ± 0.004 Å
• b: 15.36 ± 0.006 Å
• c: 16.17 ± 0.007 Å
• α: 90°
• β: 99.11 ± 0.005°
• γ: 90°
• Cell volume: 2253.7 ± 1.6 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: 0.0753
• Residual factor for significantly intense reflections: 0.0591
• Weighted residual factors for significantly intense reflections: 0.1331
• Weighted residual factors for all reflections included in the refinement: 0.1444
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No