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Information card for entry 4037471
Preview
Coordinates | 4037471.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C25 H27 N O3 |
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Calculated formula | C25 H27 N O3 |
SMILES | CC([C@H]1COC(=O)N1C1=C([C@@]([C@@H](C1=O)C)(c1ccccc1)C)c1ccccc1)C |
Title of publication | Multistereocenter-Containing Cyclopentanoids from Ynamides via Oxazolidinone-Controlled Nazarov Cyclization. |
Authors of publication | Manchala, Narasimhulu; Law, Hanson Y. L.; Kerr, Daniel J.; Volpe, Rohan; Lepage, Romain J.; White, Jonathan M.; Krenske, Elizabeth H.; Flynn, Bernard L. |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2017 |
Journal volume | 82 |
Journal issue | 13 |
Pages of publication | 6511 - 6527 |
a | 10.1206 ± 0.0002 Å |
b | 10.1349 ± 0.0002 Å |
c | 21.0311 ± 0.0005 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2157.19 ± 0.08 Å3 |
Cell temperature | 130 ± 0.2 K |
Ambient diffraction temperature | 130 ± 0.2 K |
Number of distinct elements | 4 |
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 | 0.0438 |
Residual factor for significantly intense reflections | 0.0418 |
Weighted residual factors for significantly intense reflections | 0.1044 |
Weighted residual factors for all reflections included in the refinement | 0.1059 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.989 |
Diffraction radiation wavelength | 1.5418 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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