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Information card for entry 1505680
Preview
Coordinates | 1505680.cif |
---|---|
Original paper (by DOI) | HTML |
External links | ChemSpider |
Formula | C23 H30 O7 |
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Calculated formula | C23 H30 O7 |
SMILES | O1C(=O)[C@@](c2cc(ccc12)OC(=O)O[C@@H]1C[C@@H](CC[C@H]1C(C)C)C)(CC(=O)OC)C |
Title of publication | Inhibition of human acetyl- and butyrylcholinesterase by novel carbamates of (-)- and (+)-tetrahydrofurobenzofuran and methanobenzodioxepine. |
Authors of publication | Luo, Weiming; Yu, Qian-Sheng; Kulkarni, Santosh S.; Parrish, Damon A.; Holloway, Harold W.; Tweedie, David; Shafferman, Avigdor; Lahiri, Debomoy K.; Brossi, Arnold; Greig, Nigel H. |
Journal of publication | Journal of medicinal chemistry |
Year of publication | 2006 |
Journal volume | 49 |
Journal issue | 7 |
Pages of publication | 2174 - 2185 |
a | 8.8996 ± 0.0004 Å |
b | 12.0769 ± 0.0004 Å |
c | 10.5206 ± 0.0003 Å |
α | 90° |
β | 90.695 ± 0.002° |
γ | 90° |
Cell volume | 1130.67 ± 0.07 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 3 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.0548 |
Residual factor for significantly intense reflections | 0.0496 |
Weighted residual factors for significantly intense reflections | 0.1202 |
Weighted residual factors for all reflections included in the refinement | 0.1245 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.01 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
201954 (current) | 2017-10-13 | cif/ Marking COD entries in range 1 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
1505680.cif |
176432 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
1505680.cif |
120071 | 2014-07-11 | Adding DOIs to range 1 structures. | 1505680.cif |
47656 | 2012-03-26 | ../uploads/cif-deposit/cod/cif Adding structures of 1505680 via cif-deposit CGI script. |
1505680.cif |
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Users of the data should acknowledge the original authors of the
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