Information card for entry 7210490

Structure parameters

• Formula: C17 H22 N4 O4
• Calculated formula: C17 H22 N4 O4
• SMILES: O=C1\C(c2ccccc2C=C1)=C/N[C@H](C(=O)[O-])CCCNC(=[NH2+])N.O
• Title of publication: Supramolecular assembly of a new series of copper-l-arginine Schiff bases
• Authors of publication: New, Siu Yee; Thio, Yude; Koh, Lip Lin; Andy Hor, T. S.; Xue, Feng
• Journal of publication: CrystEngComm
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 6
• Pages of publication: 2114
• a: 6.9339 ± 0.0005 Å
• b: 8.4735 ± 0.0006 Å
• c: 15.3249 ± 0.001 Å
• α: 75.124 ± 0.002°
• β: 82.496 ± 0.002°
• γ: 80.882 ± 0.002°
• Cell volume: 855.41 ± 0.1 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 4
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0806
• Residual factor for significantly intense reflections: 0.0617
• Weighted residual factors for significantly intense reflections: 0.1327
• Weighted residual factors for all reflections included in the refinement: 0.1532
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No