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Information card for entry 7151822
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Coordinates | 7151822.cif |
---|---|
Original paper (by DOI) | HTML |
External links | ChemSpider |
Formula | C28 H29 N O3 |
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Calculated formula | C28 H29 N O3 |
SMILES | O(C)C(=O)[C@]1(Oc2c(C(=C1)c1ccccc1)cc(cc2)C(C)(C)C)Nc1ccc(cc1)C |
Title of publication | Cascade reaction of β,γ-unsaturated α-ketoesters with phenols in trityl chloride/TFA system. Highly selective synthesis of 4-aryl-2H-chromenes and their applications. |
Authors of publication | Wu, Yan-Chao; Li, Hui-Jing; Liu, Li; Liu, Zhe; Wang, Dong; Chen, Yong-Jun |
Journal of publication | Organic & biomolecular chemistry |
Year of publication | 2011 |
Journal volume | 9 |
Journal issue | 8 |
Pages of publication | 2868 - 2877 |
a | 6.0368 ± 0.0012 Å |
b | 13.398 ± 0.003 Å |
c | 29.789 ± 0.006 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2409.4 ± 0.9 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 4 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.0698 |
Residual factor for significantly intense reflections | 0.0436 |
Weighted residual factors for significantly intense reflections | 0.1095 |
Weighted residual factors for all reflections included in the refinement | 0.1307 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.01 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
202017 (current) | 2017-10-14 | cif/ Marking COD entries in range 7 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
7151822.cif |
180304 | 2016-03-26 | cif/7/15/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/15/18. |
7151822.cif |
120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7151822.cif |
35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7151822.cif |
21281 | 2011-06-22 | ../uploads/cif-deposit/cod/cif Adding structures of 7151820, 7151821, 7151822 via cif-deposit CGI script. |
7151822.cif |
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Users of the data should acknowledge the original authors of the
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