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Information card for entry 4028535
Preview
Coordinates | 4028535.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C32 H43 N3 O7 |
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Calculated formula | C32 H43 N3 O7 |
SMILES | N([C@H](C(=O)ON(C(=O)N[C@H](C(=O)OC(C)(C)C)C(C)C)C)CC(C)C)C(=O)OCC1c2ccccc2c2ccccc12 |
Title of publication | Oxyazapeptides: Synthesis, Structure Determination, and Conformational Analysis |
Authors of publication | Suvendu Biswas; Nader E. Abo-Dya; Alexander Oliferenko; Amir Khiabani; Peter J. Steel; Khalid A. Alamry; Alan R. Katritzky |
Journal of publication | Journal of Organic Chemistry |
Year of publication | 2013 |
Journal volume | 78 |
Pages of publication | 8502 - 8509 |
a | 7.89551 ± 0.00009 Å |
b | 17.34558 ± 0.00016 Å |
c | 22.8169 ± 0.0002 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 3124.82 ± 0.05 Å3 |
Cell temperature | 120 ± 1 K |
Ambient diffraction temperature | 120 ± 1 K |
Number of distinct elements | 4 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.0385 |
Residual factor for significantly intense reflections | 0.0354 |
Weighted residual factors for significantly intense reflections | 0.0895 |
Weighted residual factors for all reflections included in the refinement | 0.0925 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.026 |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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