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Information card for entry 1542714
Preview
Coordinates | 1542714.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C30 H44 O4 |
---|---|
Calculated formula | C30 H44 O4 |
SMILES | O[C@]1([C@H]2[C@H]3C=C([C@H](C(=O)[C@]3(O)[C@@H](CCC=C(C)C)C)[C@H]2C(=CC1=O)C)C)[C@@H](CCC=C(C)C)C |
Title of publication | Total Synthesis of (-)-Bacchopetiolone via an Asymmetric Hydroxylative Phenol Dearomatization/[4+2]-Dimerization Cascade Promoted by a Novel Salen-Type Chiral Iodane. |
Authors of publication | Coffinier, Romain; Assal, Mourad El; Peixoto, Philippe A.; Bosset, Cyril; Miqueu, Karinne; Sotiropoulos, Jean-Marc; Pouységu, Laurent; Quideau, Stéphane |
Journal of publication | Organic letters |
Year of publication | 2016 |
Journal volume | 18 |
Journal issue | 5 |
Pages of publication | 1120 |
a | 8.0564 ± 0.0002 Å |
b | 12.2225 ± 0.0004 Å |
c | 28.0933 ± 0.0006 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2766.33 ± 0.13 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 3 |
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 | 0.0887 |
Residual factor for significantly intense reflections | 0.0777 |
Weighted residual factors for significantly intense reflections | 0.2234 |
Weighted residual factors for all reflections included in the refinement | 0.2717 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.169 |
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/1542714.html
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Users of the data should acknowledge the original authors of the
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