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Information card for entry 1517076
Preview
| Coordinates | 1517076.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C25 H26 N2 O7 |
|---|---|
| Calculated formula | C25 H26 N2 O7 |
| SMILES | O(C(=O)C1(C[C@H](c2c(n(c3ccccc23)C)[C@H]1CN(=O)=O)c1ccc(OC)cc1)C(=O)OC)C.O(C(=O)C1(C[C@@H](c2c(n(c3ccccc23)C)[C@@H]1CN(=O)=O)c1ccc(OC)cc1)C(=O)OC)C |
| Title of publication | Diastereoselective Synthesis of Functionalized Tetrahydrocarbazoles via a Domino-Ring Opening-Cyclization of Donor-Acceptor Cyclopropanes with Substituted 2-Vinylindoles. |
| Authors of publication | Talukdar, Ranadeep; Tiwari, Deo Prakash; Saha, Amrita; Ghorai, Manas K. |
| Journal of publication | Organic letters |
| Year of publication | 2014 |
| Journal volume | 16 |
| Journal issue | 15 |
| Pages of publication | 3954 - 3957 |
| a | 8.398 ± 0.005 Å |
| b | 23.088 ± 0.005 Å |
| c | 12.083 ± 0.005 Å |
| α | 90 ± 0.005° |
| β | 107.75 ± 0.005° |
| γ | 90 ± 0.005° |
| Cell volume | 2231.3 ± 1.7 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0807 |
| Residual factor for significantly intense reflections | 0.0433 |
| Weighted residual factors for significantly intense reflections | 0.0892 |
| Weighted residual factors for all reflections included in the refinement | 0.1024 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.03 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301776 (current) | 2025-08-18 | Add cross-references to PubChem compounds in COD range 1/51 Each referenced PubChem compound corresponds to the full crystal structure. |
1517076.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. |
1517076.cif |
| 121355 | 2014-08-05 | cif/ Updating files of 1517075, 1517076 Original log message: Adding full bibliography for 1517075--1517076.cif. |
1517076.cif |
| 119998 | 2014-07-11 | cif/ Adding structures of 1517076 via cif-deposit CGI script. |
1517076.cif |
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