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Information card for entry 1505818
Preview
Coordinates | 1505818.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C24 H32 N2 O7 S |
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Calculated formula | C24 H29 N2 O7 S |
SMILES | S(=O)(=O)(N1CC=C2[C@]3(C1)[C@@H](N(CC3)C(=O)OC(C)(C)C)[C@@](O)([C@@H]2O)/C=C\CO)c1ccccc1.S(=O)(=O)(N1CC=C2[C@@]3(C1)[C@H](N(CC3)C(=O)OC(C)(C)C)[C@](O)([C@H]2O)/C=C\CO)c1ccccc1 |
Title of publication | Stereoselective furan-iminium cation cyclization in the construction of the core structure of manzamine A. |
Authors of publication | Tokumaru, Kazuyuki; Arai, Shigeru; Nishida, Atsushi |
Journal of publication | Organic letters |
Year of publication | 2006 |
Journal volume | 8 |
Journal issue | 1 |
Pages of publication | 27 - 30 |
a | 26.507 ± 0.007 Å |
b | 18.459 ± 0.003 Å |
c | 12.035 ± 0.002 Å |
α | 90° |
β | 106.22 ± 0.02° |
γ | 90° |
Cell volume | 5654 ± 2 Å3 |
Cell temperature | 298.2 K |
Number of distinct elements | 5 |
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 | 0.0751 |
Weighted residual factors for all reflections included in the refinement | 0.1294 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.97 |
Diffraction radiation wavelength | 1.5418 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
176435 (current) | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2. |
1505818.cif |
120071 | 2014-07-11 | Adding DOIs to range 1 structures. | 1505818.cif |
47764 | 2012-03-26 | ../uploads/cif-deposit/cod/cif Adding structures of 1505818 via cif-deposit CGI script. |
1505818.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.