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Information card for entry 4030401
Preview
Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 4030401.cif |
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Original paper (by DOI) | HTML |
Formula | C16 H25 N2 O |
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Calculated formula | C16 H25 N2 O |
SMILES | C1(=O)[C@]2(CCCN1)CCCC[C@H]2/C=C/N1CCCC1.C1(=O)[C@@]2(CCCN1)CCCC[C@@H]2/C=C/N1CCCC1 |
Title of publication | Construction of the Myrioneuron Alkaloids: A Total Synthesis of (±)-Myrioneurinol. |
Authors of publication | Nocket, Anthony J.; Feng, Yiqing; Weinreb, Steven M. |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2014 |
Journal volume | 80 |
Journal issue | 2 |
Pages of publication | 1116 |
a | 6.231 ± 0.003 Å |
b | 10.287 ± 0.005 Å |
c | 12.24 ± 0.006 Å |
α | 88.818 ± 0.009° |
β | 79.149 ± 0.01° |
γ | 89.56 ± 0.009° |
Cell volume | 770.4 ± 0.6 Å3 |
Cell temperature | 298 ± 2 K |
Ambient diffraction temperature | 298 ± 2 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1272 |
Residual factor for significantly intense reflections | 0.0849 |
Weighted residual factors for significantly intense reflections | 0.2508 |
Weighted residual factors for all reflections included in the refinement | 0.2776 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.107 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4030401.html
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Users of the data should acknowledge the original authors of the
structural data.