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Information card for entry 1504668
Preview
| Coordinates | 1504668.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider |
| Common name | p-nitrobenzoyl ester |
|---|---|
| Formula | C30 H39 N O8 |
| Calculated formula | C30 H39 N O8 |
| SMILES | O[C@@]1(C(=C)C)[C@@H](COC(=O)c2ccc(N(=O)=O)cc2)[C@@]([C@@](OCOC)(CC1)C)(CCOCc1ccccc1)C |
| Title of publication | Enantioselective synthesis of iridal, the parent molecule of the iridal triterpenoid class. |
| Authors of publication | Corbu, Andrei; Aquino, Maurizio; Pratap, T. V.; Retailleau, Pascal; Arseniyadis, Siméon |
| Journal of publication | Organic letters |
| Year of publication | 2008 |
| Journal volume | 10 |
| Journal issue | 9 |
| Pages of publication | 1787 - 1790 |
| a | 7.302 ± 0.002 Å |
| b | 11.179 ± 0.003 Å |
| c | 35.809 ± 0.006 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2923.1 ± 1.2 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0599 |
| Residual factor for significantly intense reflections | 0.0406 |
| Weighted residual factors for significantly intense reflections | 0.0944 |
| Weighted residual factors for all reflections included in the refinement | 0.1057 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.027 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| 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. |
1504668.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. |
1504668.cif |
| 120071 | 2014-07-11 | Adding DOIs to range 1 structures. | 1504668.cif |
| 42273 | 2012-03-13 | ../uploads/cif-deposit/cod/cif Adding structures of 1504668 via cif-deposit CGI script. |
1504668.cif |
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Users of the data should acknowledge the original authors of the
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