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Information card for entry 4025409
Preview
Coordinates | 4025409.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C14 H23 N O3 |
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Calculated formula | C14 H23 N O3 |
SMILES | N1([C@H]2CCCC[C@H]2[C@@H](C1=O)C(=O)OC)C(C)(C)C.N1([C@@H]2CCCC[C@@H]2[C@H](C1=O)C(=O)OC)C(C)(C)C |
Title of publication | Selective Approach toward Multifunctionalized Lactams by Lewis Acid Promoted PhSe Group Transfer Radical Cyclization |
Authors of publication | Jin-Di Yu; Wei Ding; Gao-Yan Lian; Ke-Sheng Song; Dan-Wei Zhang; Xiang Gao; Dan Yang |
Journal of publication | Journal of Organic Chemistry |
Year of publication | 2010 |
Journal volume | 75 |
Pages of publication | 3232 - 3239 |
a | 9.847 ± 0.004 Å |
b | 12.586 ± 0.002 Å |
c | 11.541 ± 0.003 Å |
α | 90° |
β | 99.81 ± 0.02° |
γ | 90° |
Cell volume | 1409.4 ± 0.7 Å3 |
Cell temperature | 295 ± 2 K |
Ambient diffraction temperature | 295 ± 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 | 0.1213 |
Residual factor for significantly intense reflections | 0.043 |
Weighted residual factors for significantly intense reflections | 0.0914 |
Weighted residual factors for all reflections included in the refinement | 0.113 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.057 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
288183 (current) | 2023-12-08 | cod/ Corrected misspelt data names in multiple entries using the 'cif_correct_tags' program and a data names replacement file from cod-tools revision 9827. This change affected only the misspelt variants of the '_atom_site_symmetry_multiplicity' data name. |
4025409.cif |
178433 | 2016-03-21 | cif/4/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/02/54. |
4025409.cif |
91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4025409.cif |
34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4025409.cif |
17004 | 2011-03-31 | cif/ Commiting CIFs, that were updated with the 'cif_fix_values' script, using options '--fix-misspelled replacement_values.lst', '--fix-temperature' and '--fix-enums' with built-in table of enum values. The following cmd was used: > (set -x; find ? -name \*.cif | sort | xargs -i sh -c 'if !( > cif_fix_values --fix-misspelled ~/../inputs/replacament_values.lst {} | > cif_filter --add-cif-header {} | > sponge {} ) 2>&1 | grep NOTE; then svn revert {}; > fi' ) & |
4025409.cif |
11199 | 2011-02-15 | ../uploads/cif-deposit/cod/cif Adding structures of 4025409 via cif-deposit CGI script. |
4025409.cif |
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