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Information card for entry 7120198
Preview
Coordinates | 7120198.cif |
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Original paper (by DOI) | HTML |
Chemical name | methoxy naphthyl IP heptamer |
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Formula | C175 H157 N13 O8 |
Calculated formula | C175 H157 N13 O8 |
SMILES | O(c1c(cc(C#Cc2c3[nH]c4c5[nH]c6c(cc(cc6c5ccc4c3cc(c2)C(C)(C)C)C(C)(C)C)C#Cc2nc(ccc2)C#Cc2c3[nH]c4c5[nH]c6c(cc(cc6c5ccc4c3cc(c2)C(C)(C)C)C(C)(C)C)C#Cc2nc(ccc2)C#Cc2c3[nH]c4c5[nH]c6c(cc(cc6c5ccc4c3cc(c2)C(C)(C)C)C(C)(C)C)C#Cc2nc(ccc2)C#C[C@H]2c3[nH]c4c5[nH]c6c(cc(cc6c5ccc4c3CC(=C2)C(C)(C)C)C(C)(C)C)C#Cc2cc(c(OC)cc2)C(=O)N[C@H](c2cccc3ccccc23)C)cc1)C(=O)N[C@H](c1cccc2ccccc12)C)C.O.O.O.O.O(c1c(cc(C#Cc2c3[nH]c4c5[nH]c6c(cc(cc6c5ccc4c3cc(c2)C(C)(C)C)C(C)(C)C)C#Cc2nc(ccc2)C#Cc2c3[nH]c4c5[nH]c6c(cc(cc6c5ccc4c3cc(c2)C(C)(C)C)C(C)(C)C)C#Cc2nc(ccc2)C#Cc2c3[nH]c4c5[nH]c6c(cc(cc6c5ccc4c3cc(c2)C(C)(C)C)C(C)(C)C)C#Cc2nc(ccc2)C#C[C@@H]2c3[nH]c4c5[nH]c6c(cc(cc6c5ccc4c3CC(=C2)C(C)(C)C)C(C)(C)C)C#Cc2cc(c(OC)cc2)C(=O)N[C@@H](c2cccc3ccccc23)C)cc1)C(=O)N[C@@H](c1cccc2ccccc12)C)C.O.O.O.O |
Title of publication | Stereospecific control of the helical orientation of indolocarbazole‒pyridine hybrid foldamers by rational modification of terminal chiral appendages |
Authors of publication | Kim, Junyoung; Jeon, Hae-Geun; Kang, Philjae; Jeong, Kyu-Sung |
Journal of publication | Chem. Commun. |
Year of publication | 2017 |
a | 18.4463 ± 0.0012 Å |
b | 18.6186 ± 0.0012 Å |
c | 27.4771 ± 0.0017 Å |
α | 76.253 ± 0.003° |
β | 73.468 ± 0.003° |
γ | 68.847 ± 0.003° |
Cell volume | 8340.5 ± 0.9 Å3 |
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 | 0.0949 |
Residual factor for significantly intense reflections | 0.0618 |
Weighted residual factors for significantly intense reflections | 0.1711 |
Weighted residual factors for all reflections included in the refinement | 0.1867 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.199 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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