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Information card for entry 7241446
Preview
Coordinates | 7241446.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C28 H45 N5 O8 S |
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Calculated formula | C28 H45 N5 O8 S |
SMILES | S(=O)(=O)(NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)OC)(C)C)(C)C)(C)C)(C)C)(C)C)c1ccc(cc1)C |
Title of publication | Homochiral and heterochiral associations observed in crystals of ArSO2-(Aib)5-OMe |
Authors of publication | Hikawa, Hidemasa; Takahashi, Ayaka; Kikkawa, Shoko; Suzuki, Ayaka; Takahashi, Yoshiki; Sato, Naruka; Okayasu, Misaki; Azumaya, Isao |
Journal of publication | CrystEngComm |
Year of publication | 2020 |
a | 18.01208 ± 0.00008 Å |
b | 16.32819 ± 0.00008 Å |
c | 22.3516 ± 0.0001 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 6573.71 ± 0.05 Å3 |
Cell temperature | 93 K |
Ambient diffraction temperature | 93 K |
Number of distinct elements | 5 |
Space group number | 61 |
Hermann-Mauguin space group symbol | P b c a |
Hall space group symbol | -P 2ac 2ab |
Residual factor for all reflections | 0.0435 |
Residual factor for significantly intense reflections | 0.0409 |
Weighted residual factors for significantly intense reflections | 0.1179 |
Weighted residual factors for all reflections included in the refinement | 0.12 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.024 |
Diffraction radiation wavelength | 1.54187 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/7241446.html
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