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Information card for entry 1506105
Preview
| Coordinates | 1506105.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider |
| Formula | C12 H11 N |
|---|---|
| Calculated formula | C12 H11 N |
| SMILES | n12c(c(cc2)C)Cc2c1cccc2 |
| Title of publication | Allenyl azide cycloaddition chemistry. Synthesis of annelated indoles from 2-(allenyl)phenyl azide substrates |
| Authors of publication | Feldman, Ken S.; Iyer, Malliga R.; Hester, II, D. Keith |
| Journal of publication | Organic Letters |
| Year of publication | 2006 |
| Journal volume | 8 |
| Journal issue | 14 |
| Pages of publication | 3113 - 3116 |
| a | 11.907 ± 0.004 Å |
| b | 5.6848 ± 0.0016 Å |
| c | 12.95 ± 0.004 Å |
| α | 90° |
| β | 92.517 ± 0.005° |
| γ | 90° |
| Cell volume | 875.7 ± 0.5 Å3 |
| Cell temperature | 108 ± 2 K |
| Ambient diffraction temperature | 108 ± 2 K |
| Number of distinct elements | 3 |
| 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 | 0.0611 |
| Residual factor for significantly intense reflections | 0.0517 |
| Weighted residual factors for significantly intense reflections | 0.132 |
| Weighted residual factors for all reflections included in the refinement | 0.139 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.072 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 218620 (current) | 2019-09-20 | cif/1/ Updated bibliographic information in entries 1506105-1506106, 1516754. |
1506105.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. |
1506105.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. |
1506105.cif |
| 120071 | 2014-07-11 | Adding DOIs to range 1 structures. | 1506105.cif |
| 47996 | 2012-03-26 | ../uploads/cif-deposit/cod/cif Adding structures of 1506105 via cif-deposit CGI script. |
1506105.cif |
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Users of the data should acknowledge the original authors of the
structural data.