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Information card for entry 4027253
Preview
Coordinates | 4027253.cif |
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Original paper (by DOI) | HTML |
Formula | C29 H31 N3 O6 |
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Calculated formula | C29 H31 N3 O6 |
SMILES | O([C@H]1C(N=N#N)[C@@H](OCc2ccccc2)[C@@H]2OCO[C@H]1C2OCc1ccc(OC)cc1)Cc1ccccc1 |
Title of publication | Synthesis of the Aminocyclitol Units of (-)-Hygromycin A and Methoxyhygromycin from myo-Inositol |
Authors of publication | Bharat P. Gurale; Mysore S. Shashidhar; Rajesh G. Gonnade |
Journal of publication | Journal of Organic Chemistry |
Year of publication | 2012 |
Journal volume | 77 |
Pages of publication | 5801 - 5807 |
a | 33.13 ± 0.005 Å |
b | 10.4844 ± 0.0017 Å |
c | 16.523 ± 0.003 Å |
α | 90° |
β | 111.386 ± 0.003° |
γ | 90° |
Cell volume | 5344.1 ± 1.5 Å3 |
Cell temperature | 297 ± 2 K |
Ambient diffraction temperature | 297 ± 2 K |
Number of distinct elements | 4 |
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 | 0.0859 |
Residual factor for significantly intense reflections | 0.0437 |
Weighted residual factors for significantly intense reflections | 0.0872 |
Weighted residual factors for all reflections included in the refinement | 0.1026 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.011 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4027253.html
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