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Information card for entry 7151843
Preview
Coordinates | 7151843.cif |
---|---|
Original paper (by DOI) | HTML |
External links | ChemSpider |
Formula | C17 H21 Br O |
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Calculated formula | C17 H21 Br O |
SMILES | Brc1ccc(cc1)[C@H]1CC(=C2CC[C@H](C[C@H]2O1)C)C |
Title of publication | An efficient synthesis of dihydro- and tetrahydropyrans via oxonium-ene cyclization reaction. |
Authors of publication | Bondalapati, Somasekhar; Reddy, Udagandla C.; Saha, Pipas; Saikia, Anil K. |
Journal of publication | Organic & biomolecular chemistry |
Year of publication | 2011 |
Journal volume | 9 |
Journal issue | 9 |
Pages of publication | 3428 - 3438 |
a | 4.7575 ± 0.0002 Å |
b | 9.8672 ± 0.0004 Å |
c | 16.6178 ± 0.0006 Å |
α | 90° |
β | 92.21 ± 0.002° |
γ | 90° |
Cell volume | 779.51 ± 0.05 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 4 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.0605 |
Residual factor for significantly intense reflections | 0.0525 |
Weighted residual factors for significantly intense reflections | 0.1308 |
Weighted residual factors for all reflections included in the refinement | 0.1449 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.077 |
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. |
7151843.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. |
7151843.cif |
120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7151843.cif |
35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7151843.cif |
21422 | 2011-06-22 | ../uploads/cif-deposit/cod/cif Adding structures of 7151843, 7151844, 7151845 via cif-deposit CGI script. |
7151843.cif |
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Users of the data should acknowledge the original authors of the
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