Information card for entry 7115921

Structure parameters

• Chemical name: (S)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
• Formula: C13 H20 Cl N O5
• Calculated formula: C13 H20 Cl N O5
• SMILES: [Cl-].O(c1cc2c(C[NH2+][C@@H](C2)C(=O)O)cc1OC)C.OC
• Title of publication: Supramolecular hydrogels derived from cyclic amino acids and their applications in the synthesis of Pt and Ir nanocrystals
• Authors of publication: Chuanqing Kang; Lanlan Wang; Zheng Bian; Haiquan Guo; Xiaoye Ma; Xuepeng Qiu; Lianxun Gao
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 13979
• a: 6.2745 ± 0.0004 Å
• b: 9.0192 ± 0.0006 Å
• c: 26.8007 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1516.68 ± 0.17 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.04
• Residual factor for significantly intense reflections: 0.0324
• Weighted residual factors for significantly intense reflections: 0.0742
• Weighted residual factors for all reflections included in the refinement: 0.0777
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 7115920
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No