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Information card for entry 1508904
Preview
| Coordinates | 1508904.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider; PubChem |
| Chemical name | (4R,5S)-3-((S)-3-(5-(benzyloxy)-7-methoxy-2-methyl- 4-oxo-4H-chromen-6-yl)-2-methylpropanoyl)-4-methyl-5- phenyloxazolidin-2-one |
|---|---|
| Formula | C32 H31 N O7 |
| Calculated formula | C32 H31 N O7 |
| SMILES | C([C@H](C)C(=O)N1[C@H](C)[C@H](c2ccccc2)OC1=O)c1c(c2c(=O)cc(C)oc2cc1OC)OCc1ccccc1 |
| Title of publication | Total synthesis of chaetoquadrins a-C. |
| Authors of publication | Kim, U. Bin; Furkert, Daniel P.; Brimble, Margaret A. |
| Journal of publication | Organic letters |
| Year of publication | 2013 |
| Journal volume | 15 |
| Journal issue | 3 |
| Pages of publication | 658 - 661 |
| a | 10.3793 ± 0.0001 Å |
| b | 10.3793 ± 0.0001 Å |
| c | 25.352 ± 0.0007 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2731.17 ± 0.08 Å3 |
| Cell temperature | 97 ± 2 K |
| Ambient diffraction temperature | 97 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 78 |
| Hermann-Mauguin space group symbol | P 43 |
| Hall space group symbol | P 4cw |
| Residual factor for all reflections | 0.025 |
| Residual factor for significantly intense reflections | 0.0243 |
| Weighted residual factors for significantly intense reflections | 0.0618 |
| Weighted residual factors for all reflections included in the refinement | 0.0622 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.035 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301775 (current) | 2025-08-18 | Add cross-references to PubChem compounds in COD range 1/50 Each referenced PubChem compound corresponds to the full crystal structure. |
1508904.cif |
| 201954 | 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. |
1508904.cif |
| 176729 | 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. |
1508904.cif |
| 91932 | 2013-12-28 | cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs. |
1508904.cif |
| 74052 | 2013-02-21 | cif/ Adding structures of 1508904 via cif-deposit CGI script. |
1508904.cif |
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Users of the data should acknowledge the original authors of the
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