Information card for entry 1547665

Structure parameters

• Formula: C150 H138 N14 O6
• Calculated formula: C150 H138 N14 O6
• SMILES: OC(C#Cc1c2[nH]c3c4[nH]c5c(cc(cc5c4ccc3c2cc(c1)C(C)(C)C)C(C)(C)C)C#Cc1nc2nc(C#Cc3c4[nH]c5c6[nH]c7c(cc(cc7c6ccc5c4cc(c3)C(C)(C)C)C(C)(C)C)C#Cc3nc4nc(ccc4cc3)C#Cc3c4[nH]c5c6[nH]c7c(cc(cc7c6ccc5c4cc(c3)C(C)(C)C)C(C)(C)C)C#Cc3nc4nc(ccc4cc3)C#Cc3c4[nH]c5c6[nH]c7c(cc(cc7c6ccc5c4cc(c3)C(C)(C)C)C(C)(C)C)C#CC(O)(C)C)ccc2cc1)(C)C.O.O.O.O
• Title of publication: Aromatic Hybrid Foldamer with a Hydrophilic Helical Cavity Capable of Encapsulating Glucose.
• Authors of publication: Hwang, Ji Young; Jeon, Hae-Geun; Choi, Ye Rin; Kim, Junyoung; Kang, Philjae; Lee, Seungwon; Jeong, Kyu-Sung
• Journal of publication: Organic letters
• Year of publication: 2017
• Journal volume: 19
• Journal issue: 20
• Pages of publication: 5625 - 5628
• a: 17.226 ± 0.003 Å
• b: 22.283 ± 0.005 Å
• c: 24.02 ± 0.005 Å
• α: 117.27 ± 0.03°
• β: 92.88 ± 0.03°
• γ: 96.46 ± 0.03°
• Cell volume: 8089 ± 4 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1629
• Residual factor for significantly intense reflections: 0.0969
• Weighted residual factors for significantly intense reflections: 0.2701
• Weighted residual factors for all reflections included in the refinement: 0.311
• Goodness-of-fit parameter for all reflections included in the refinement: 0.975
• Diffraction radiation wavelength: 0.7 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No