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Information card for entry 4027636
Preview
Coordinates | 4027636.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C38 H51 N O6 Si2 |
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Calculated formula | C38 H51 N O6 Si2 |
SMILES | [Si](OC[C@@]1(O)CC(=O)[C@]2(N=C(O[C@H]2C)c2ccc(OC)cc2)[C@H]1O[Si](CC)(CC)CC)(c1ccccc1)(c1ccccc1)C(C)(C)C |
Title of publication | Total Synthesis of Pactamycin and Pactamycate: A Detailed Account |
Authors of publication | Stephen Hanessian; Ramkrishna Reddy Vakiti; Stéphane Dorich; Shyamapada Banerjee; Benoît Deschênes-Simard |
Journal of publication | Journal of Organic Chemistry |
Year of publication | 2012 |
Journal volume | 77 |
Pages of publication | 9458 - 9472 |
a | 13.6063 ± 0.0002 Å |
b | 9.6562 ± 0.0001 Å |
c | 14.2364 ± 0.0003 Å |
α | 90° |
β | 98.806 ± 0.001° |
γ | 90° |
Cell volume | 1848.4 ± 0.05 Å3 |
Cell temperature | 150 K |
Ambient diffraction temperature | 150 K |
Number of distinct elements | 5 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.0322 |
Residual factor for significantly intense reflections | 0.0319 |
Weighted residual factors for significantly intense reflections | 0.0794 |
Weighted residual factors for all reflections included in the refinement | 0.0797 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.075 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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