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Information card for entry 1505809
Preview
Coordinates | 1505809.cif |
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Original paper (by DOI) | HTML |
Formula | C19 H20 I N O5 |
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Calculated formula | C19 H24 I N O5 |
SMILES | Ic1c(CC2N(CC(=CC2=O)OCC(C)C)C(=O)OC)cccc1OC |
Title of publication | Synthetic studies toward the haouamines. |
Authors of publication | Grundl, Marc A.; Trauner, Dirk |
Journal of publication | Organic letters |
Year of publication | 2006 |
Journal volume | 8 |
Journal issue | 1 |
Pages of publication | 23 - 25 |
a | 7.981 ± 0.001 Å |
b | 22.703 ± 0.004 Å |
c | 11.227 ± 0.002 Å |
α | 90° |
β | 92.995 ± 0.003° |
γ | 90° |
Cell volume | 2031.5 ± 0.6 Å3 |
Cell temperature | 163.2 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0637 |
Residual factor for significantly intense reflections | 0.0338 |
Weighted residual factors for all reflections | 0.0421 |
Weighted residual factors for all reflections included in the refinement | 0.0369 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.312 |
Diffraction radiation wavelength | 0.7107 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
176435 (current) | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2. |
1505809.cif |
120071 | 2014-07-11 | Adding DOIs to range 1 structures. | 1505809.cif |
47756 | 2012-03-26 | ../uploads/cif-deposit/cod/cif Adding structures of 1505809 via cif-deposit CGI script. |
1505809.cif |
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Users of the data should acknowledge the original authors of the
structural data.