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Information card for entry 1505869
Preview
| Coordinates | 1505869.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider; PubChem |
| Common name | 05294 |
|---|---|
| Formula | C36 H45 N O4 Si |
| Calculated formula | C36 H45 N O4 Si |
| SMILES | [Si](OC[C@@H]1N2[C@@]3([C@H](C(=O)c4c(=O)oc(cc24)CCCC)CCCC3)CC1)(C(C)(C)C)(c1ccccc1)c1ccccc1 |
| Title of publication | A concise total synthesis of (-)-cylindricine C through a stereoselective intramolecular aza-[3 + 3] annulation strategy. |
| Authors of publication | Swidorski, Jacob J.; Wang, Jiashi; Hsung, Richard P. |
| Journal of publication | Organic letters |
| Year of publication | 2006 |
| Journal volume | 8 |
| Journal issue | 4 |
| Pages of publication | 777 - 780 |
| a | 8.3022 ± 0.0007 Å |
| b | 14.6332 ± 0.0012 Å |
| c | 26.376 ± 0.002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3204.4 ± 0.4 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0694 |
| Residual factor for significantly intense reflections | 0.0399 |
| Weighted residual factors for significantly intense reflections | 0.0831 |
| Weighted residual factors for all reflections included in the refinement | 0.0971 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.017 |
| 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. |
1505869.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. |
1505869.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. |
1505869.cif |
| 120071 | 2014-07-11 | Adding DOIs to range 1 structures. | 1505869.cif |
| 47807 | 2012-03-26 | ../uploads/cif-deposit/cod/cif Adding structures of 1505869 via cif-deposit CGI script. |
1505869.cif |
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Users of the data should acknowledge the original authors of the
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