Information card for entry 4501616

Structure parameters

• Formula: C18 H24 N4 O5 Zn
• Calculated formula: C18 H24 N4 O5 Zn
• SMILES: [C@@H]1(C)[NH]2[Zn]34([NH]([C@H](C(=O)O4)C)Cc4cccc[n]34)([n]3c(C2)cccc3)OC1=O.O
• Title of publication: Homochiral Supramolecular Compounds Constructed from Amino Acid Derivatives: Syntheses, Structures, Chiroptical, and Photoluminescence Properties
• Authors of publication: Li, Xinfa; Liu, Tianfu; Hu, Bing; Li, Guoliang; Zhang, Hui; Cao, Rong
• Journal of publication: Crystal Growth & Design
• Year of publication: 2010
• Journal volume: 10
• Journal issue: 7
• Pages of publication: 3051
• a: 5.6058 ± 0.0001 Å
• b: 19.5188 ± 0.0001 Å
• c: 18.5656 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2031.42 ± 0.06 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 20
• Hermann-Mauguin space group symbol: C 2 2 21
• Hall space group symbol: C 2c 2
• Residual factor for all reflections: 0.0464
• Residual factor for significantly intense reflections: 0.0431
• Weighted residual factors for significantly intense reflections: 0.0953
• Weighted residual factors for all reflections included in the refinement: 0.0973
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No