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Information card for entry 4029935
Preview
Coordinates | 4029935.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | Boc-(Leu-Leu-Ac5N3)2-OMe |
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Formula | C42 H70 N18 O9 |
Calculated formula | C42 H70 N18 O9 |
SMILES | C(OC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NC1(C[C@H]([C@@H](C1)N=N#N)N=N#N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NC1(C[C@H]([C@@H](C1)N=N#N)N=N#N)C(=O)OC)(C)(C)C |
Title of publication | Helical Peptide-foldamers having a chiral five-membered ring amino Acid with two azido functional groups. |
Authors of publication | Oba, Makoto; Takazaki, Hiroomi; Kawabe, Naomi; Doi, Mitsunobu; Demizu, Yosuke; Kurihara, Masaaki; Kawakubo, Hiromu; Nagano, Masanobu; Suemune, Hiroshi; Tanaka, Masakazu |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2014 |
Journal volume | 79 |
Journal issue | 19 |
Pages of publication | 9125 - 9140 |
a | 13.361 ± 0.002 Å |
b | 16.306 ± 0.003 Å |
c | 20.844 ± 0.003 Å |
α | 74.337 ± 0.003° |
β | 75.436 ± 0.003° |
γ | 81.902 ± 0.003° |
Cell volume | 4219 ± 1.2 Å3 |
Cell temperature | 240 ± 2 K |
Ambient diffraction temperature | 240 ± 2 K |
Number of distinct elements | 4 |
Space group number | 1 |
Hermann-Mauguin space group symbol | P 1 |
Hall space group symbol | P 1 |
Residual factor for all reflections | 0.1013 |
Residual factor for significantly intense reflections | 0.0864 |
Weighted residual factors for significantly intense reflections | 0.2284 |
Weighted residual factors for all reflections included in the refinement | 0.2459 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.023 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4029935.html
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Users of the data should acknowledge the original authors of the
structural data.