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Information card for entry 4102240
Preview
Coordinates | 4102240.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C44 H56 N2 O12 |
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Calculated formula | C44 H56 N2 O12 |
SMILES | c1(ccc(cc1)C(=O)O[C@@H]1CC[C@]2([C@@H](CCC(=O)[C@]3([C@H](CCC(=O)C2)[C@@]2([C@@H](CC3)OC([C@@H](CC2)OC(=O)c2ccc(cc2)N(=O)=O)(C)C)C)C)OC1(C)C)C)N(=O)=O |
Title of publication | Biomimetic Syntheses from Squalene-Like Precursors: Synthesis of ent-Abudinol B and Reassessment of the Structure of Muzitone |
Authors of publication | Matthew A. Boone; Rongbiao Tong; Frank E. McDonald; Sheri Lense; Rui Cao; Kenneth I. Hardcastle |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2010 |
Journal volume | 132 |
Pages of publication | 5300 - 5308 |
a | 16.924 ± 0.014 Å |
b | 7.236 ± 0.006 Å |
c | 39.64 ± 0.03 Å |
α | 90° |
β | 98.926 ± 0.01° |
γ | 90° |
Cell volume | 4796 ± 7 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 4 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.2107 |
Residual factor for significantly intense reflections | 0.0905 |
Weighted residual factors for significantly intense reflections | 0.1472 |
Weighted residual factors for all reflections included in the refinement | 0.1804 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.989 |
Diffraction radiation wavelength | 1.54178 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/4102240.html
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