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Information card for entry 4026377
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Coordinates | 4026377.cif |
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Original paper (by DOI) | HTML |
Formula | C28 H29 Cl N O4 S |
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Calculated formula | C28 H29 Cl N O4 S |
Title of publication | Synthesis of Nine-Membered Azlactones by Palladium-Catalyzed Ring-Expansion of γ-Methylidene-δ-valerolactones with Aziridines |
Authors of publication | Ryo Shintani; Keiichi Ikehata; Tamio Hayashi |
Journal of publication | Journal of Organic Chemistry |
Year of publication | 2011 |
Journal volume | 76 |
Pages of publication | 4776 - 4780 |
a | 32.1162 ± 0.0006 Å |
b | 15.8781 ± 0.0003 Å |
c | 10.14064 ± 0.00018 Å |
α | 90° |
β | 105.405 ± 0.0008° |
γ | 90° |
Cell volume | 4985.37 ± 0.16 Å3 |
Cell temperature | 93.1 K |
Ambient diffraction temperature | 93 ± 1 K |
Number of distinct elements | 6 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for significantly intense reflections | 0.0483 |
Weighted residual factors for all reflections included in the refinement | 0.0616 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.013 |
Diffraction radiation wavelength | 1.54187 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
176467 (current) | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4026377.cif |
91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4026377.cif |
38732 | 2012-03-06 | ../uploads/cif-deposit/cod/cif Adding structures of 4026377 via cif-deposit CGI script. |
4026377.cif |
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Users of the data should acknowledge the original authors of the
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