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Information card for entry 1508357
Preview
| Coordinates | 1508357.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider; PubChem |
| Formula | C23 H17 N |
|---|---|
| Calculated formula | C23 H17 N |
| SMILES | [nH]1c2c(c(cc3c2c(ccc3)C)c2ccccc2)c2c1cccc2 |
| Title of publication | Palladium-Catalyzed Cascade Process Consisting of Isocyanide Insertion and Benzylic C(sp(3))-H Activation: Concise Synthesis of Indole Derivatives. |
| Authors of publication | Nanjo, Takeshi; Tsukano, Chihiro; Takemoto, Yoshiji |
| Journal of publication | Organic letters |
| Year of publication | 2012 |
| Journal volume | 14 |
| Journal issue | 16 |
| Pages of publication | 4270 - 4273 |
| a | 10.069 ± 0.002 Å |
| b | 12.069 ± 0.003 Å |
| c | 14.804 ± 0.004 Å |
| α | 88.984 ± 0.006° |
| β | 89.148 ± 0.006° |
| γ | 65.025 ± 0.006° |
| Cell volume | 1630.5 ± 0.7 Å3 |
| Cell temperature | 296 K |
| Ambient diffraction temperature | 296 K |
| Number of distinct elements | 3 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for significantly intense reflections | 0.0951 |
| Weighted residual factors for all reflections included in the refinement | 0.1852 |
| Goodness-of-fit parameter for all reflections included in the refinement | 2.031 |
| Diffraction radiation wavelength | 0.71075 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. |
1508357.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. |
1508357.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. |
1508357.cif |
| 91932 | 2013-12-28 | cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs. |
1508357.cif |
| 66338 | 2012-09-09 | cif/ Adding structures of 1508357 via cif-deposit CGI script. |
1508357.cif |
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Users of the data should acknowledge the original authors of the
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