Information card for entry 7129519

Structure parameters

• Formula: C265 H237 Cl4 N17 O10
• Calculated formula: C265 H237 Cl4 N17 O10
• SMILES: ClCCl.ClCCl.O=C(Nc1ccc2ccc3cccc4ccc1c2c34)c1cc(nc(c1)C#Cc1c2[nH]c3c(cc(cc3c2cc(c1)C(C)(C)C)C(C)(C)C)C#Cc1nc(ccc1)C#Cc1c2[nH]c3c(cc(cc3c2cc(c1)C(C)(C)C)C(C)(C)C)C#Cc1ccccc1)C#Cc1c2[nH]c3c(cc(cc3c2cc(c1)C(C)(C)C)C(C)(C)C)C#Cc1nc(ccc1)C#Cc1c2[nH]c3c(cccc3c2ccc1)C#Cc1nc(ccc1)C#Cc1c2[nH]c3c(cc(cc3c2cc(c1)C(C)(C)C)C(C)(C)C)C#Cc1nc(cc(c1)C(=O)Nc1ccc2ccc3cccc4c3c2c1cc4)C#Cc1c2[nH]c3c(cc(cc3c2cc(c1)C(C)(C)C)C(C)(C)C)C#Cc1nc(ccc1)C#Cc1c2[nH]c3c(cc(cc3c2cc(c1)C(C)(C)C)C(C)(C)C)C#Cc1ccccc1.O.O.O.O.O=C1N(C(=O)c2ccc3C(=O)N(C(=O)c4ccc1c2c34)CCCC)CCCC.CCCCC
• Title of publication: Tweezer-type binding cavity formed by the helical folding of a carbazole–pyridine oligomer
• Authors of publication: Jang, Hye Jin; Lee, Seungwon; An, Byung Jun; Song, Geunmoo; Jeon, Hae-Geun; Jeong, Kyu-Sung
• Journal of publication: Chemical Communications
• Year of publication: 2022
• a: 83.483 ± 0.017 Å
• b: 20.589 ± 0.004 Å
• c: 30.137 ± 0.006 Å
• α: 90°
• β: 108.46 ± 0.03°
• γ: 90°
• Cell volume: 49135 ± 19 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.166
• Residual factor for significantly intense reflections: 0.1034
• Weighted residual factors for significantly intense reflections: 0.3028
• Weighted residual factors for all reflections included in the refinement: 0.3399
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.9 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No