Information card for entry 1504498

Structure parameters

• Formula: C144 H148 Cl2 N16 O21
• Calculated formula: C144 H148 Cl2 N16 O21
• SMILES: c1(ccccc1)NC(=O)c1cc(c2ccc3c(cc(C(=O)Nc4ccccc4NC(=O)c4cc(c5ccc6c(cc(C(=O)Nc7cc8ccc(c(c8cc7)c7c(ccc8cc(ccc78)NC(=O)c7cc(c8ccc9c(cc(C(=O)Nc%10ccccc%10NC(=O)c%10cc(c%11ccc%12c(cc(C(=O)Nc%13ccccc%13)nc%12c%11n%10)OCC(C)C)OCC(C)C)nc9c8n7)OCC(C)C)OCC(C)C)OC)OC)nc6c5n4)OCC(C)C)OCC(C)C)nc3c2n1)OCC(C)C)OCC(C)C.CC(C)O.CC(C)O.OC(C)C.ClCCl
• Title of publication: A helix-turn-helix supersecondary structure based on oligo(phenanthroline dicarboxamide)s.
• Authors of publication: Hu, Hai-Yu; Xiang, Jun-Feng; Yang, Yong; Chen, Chuan-Feng
• Journal of publication: Organic letters
• Year of publication: 2008
• Journal volume: 10
• Journal issue: 1
• Pages of publication: 69 - 72
• a: 18.171 ± 0.003 Å
• b: 18.429 ± 0.003 Å
• c: 22.747 ± 0.005 Å
• α: 85.308 ± 0.01°
• β: 77.267 ± 0.009°
• γ: 70.02 ± 0.01°
• Cell volume: 6983 ± 2 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1393
• Residual factor for significantly intense reflections: 0.117
• Weighted residual factors for significantly intense reflections: 0.3476
• Weighted residual factors for all reflections included in the refinement: 0.3774
• Goodness-of-fit parameter for all reflections included in the refinement: 1.462
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No