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Information card for entry 1502498
Preview
Coordinates | 1502498.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C37 H40 O8 |
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Calculated formula | C37 H40 O8 |
SMILES | O=C(c1ccc(OC)cc1)[C@@H]1c2c([C@@H](c3ccc(OC)cc3)[C@@H]1c1cc(OC)cc(OC)c1)c(OC)cc(OC)c2.O=C(C)C.O=C(c1ccc(OC)cc1)[C@H]1c2c([C@H](c3ccc(OC)cc3)[C@H]1c1cc(OC)cc(OC)c1)c(OC)cc(OC)c2.O=C(C)C |
Title of publication | Structural revision and total synthesis of caraphenol B and C. |
Authors of publication | Snyder, Scott A.; Brill, Zachary G. |
Journal of publication | Organic letters |
Year of publication | 2011 |
Journal volume | 13 |
Journal issue | 20 |
Pages of publication | 5524 - 5527 |
a | 11.743 ± 0.003 Å |
b | 5.2952 ± 0.0012 Å |
c | 25.14 ± 0.006 Å |
α | 90° |
β | 93.61 ± 0.004° |
γ | 90° |
Cell volume | 1560.1 ± 0.7 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 3 |
Space group number | 7 |
Hermann-Mauguin space group symbol | P 1 c 1 |
Hall space group symbol | P -2yc |
Residual factor for all reflections | 0.1256 |
Residual factor for significantly intense reflections | 0.056 |
Weighted residual factors for significantly intense reflections | 0.086 |
Weighted residual factors for all reflections included in the refinement | 0.1022 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.823 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
176729 (current) | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1502498.cif |
91932 | 2013-12-28 | cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs. |
1502498.cif |
35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
1502498.cif |
35792 | 2012-02-26 | ../uploads/cif-deposit/cod/cif Adding structures of 1502498 via cif-deposit CGI script. |
1502498.cif |
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Users of the data should acknowledge the original authors of the
structural data.