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Information card for entry 1507810
Preview
| Coordinates | 1507810.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C38 H34 N2 |
|---|---|
| Calculated formula | C38 H34 N2 |
| SMILES | [C@H]1([C@@H](c2ccccc2)N(CCN1Cc1ccccc1)[C@@H](c1ccccc1)C#Cc1ccccc1)c1ccccc1 |
| Title of publication | Highly enantioselective synthesis of chiral allenes by sequential creation of stereogenic center and chirality transfer in a single pot operation. |
| Authors of publication | Periasamy, Mariappan; Sanjeevakumar, Nalluri; Dalai, Manasi; Gurubrahamam, Ramani; Reddy, Polimera Obula |
| Journal of publication | Organic letters |
| Year of publication | 2012 |
| Journal volume | 14 |
| Journal issue | 12 |
| Pages of publication | 2932 - 2935 |
| a | 15.001 ± 0.003 Å |
| b | 13.206 ± 0.003 Å |
| c | 15.517 ± 0.003 Å |
| α | 90° |
| β | 102.3 ± 0.03° |
| γ | 90° |
| Cell volume | 3003.4 ± 1.1 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0909 |
| Residual factor for significantly intense reflections | 0.0677 |
| Weighted residual factors for significantly intense reflections | 0.1121 |
| Weighted residual factors for all reflections included in the refinement | 0.1164 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.223 |
| 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. |
1507810.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. |
1507810.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. |
1507810.cif |
| 113523 | 2014-05-12 | cif/ Updating files of 1507810 Original log message: Adding full bibliography for 1507810.cif. |
1507810.cif |
| 91932 | 2013-12-28 | cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs. |
1507810.cif |
| 62302 | 2012-07-07 | cif/ Adding structures of 1507810 via cif-deposit CGI script. |
1507810.cif |
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Users of the data should acknowledge the original authors of the
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