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Information card for entry 1504169
Preview
Coordinates | 1504169.cif |
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Original paper (by DOI) | HTML |
Formula | C25 H27 N3 O3 |
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Calculated formula | C25 H27 N3 O3 |
SMILES | O=C(NC(C)(C)C)C(N(Cc1ccccc1)c1ccccc1N(=O)=O)c1ccccc1 |
Title of publication | Highly efficient oxidation of amines to imines by singlet oxygen and its application in Ugi-type reactions. |
Authors of publication | Jiang, Gaoxi; Chen, Jian; Huang, Jie-Sheng; Che, Chi-Ming |
Journal of publication | Organic letters |
Year of publication | 2009 |
Journal volume | 11 |
Journal issue | 20 |
Pages of publication | 4568 - 4571 |
a | 9.7384 ± 0.0009 Å |
b | 12.008 ± 0.0012 Å |
c | 19.3474 ± 0.0018 Å |
α | 90° |
β | 94.943 ± 0.002° |
γ | 90° |
Cell volume | 2254 ± 0.4 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 4 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.086 |
Residual factor for significantly intense reflections | 0.063 |
Weighted residual factors for significantly intense reflections | 0.1515 |
Weighted residual factors for all reflections included in the refinement | 0.1639 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.051 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
176729 (current) | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1504169.cif |
91932 | 2013-12-28 | cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs. |
1504169.cif |
39438 | 2012-03-07 | ../uploads/cif-deposit/cod/cif Adding structures of 1504169 via cif-deposit CGI script. |
1504169.cif |
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Users of the data should acknowledge the original authors of the
structural data.