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Information card for entry 7231097
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| Coordinates | 7231097.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Chemical name | ((2S,5R)-5-(1-(4-chlorobenzyl)-1H-tetrazol-5-yl)-1-(9H-fluoren-9-yl)pyrrolidin-2-yl)methanol |
|---|---|
| Formula | C26 H24 Cl N5 O |
| Calculated formula | C26 H24 Cl N5 O |
| Title of publication | C–H functionalization enabled stereoselective Ugi-azide reaction to α-tetrazolyl alicyclic amines |
| Authors of publication | Haldar, Surajit; Saha, Subhajit; Mandal, Sumana; Jana, Chandan K. |
| Journal of publication | Green Chemistry |
| Year of publication | 2018 |
| Journal volume | 20 |
| Journal issue | 15 |
| Pages of publication | 3463 |
| a | 9.5211 ± 0.001 Å |
| b | 11.9295 ± 0.0007 Å |
| c | 20.9205 ± 0.0017 Å |
| α | 90° |
| β | 100.11 ± 0.008° |
| γ | 90° |
| Cell volume | 2339.3 ± 0.3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.1806 |
| Residual factor for significantly intense reflections | 0.0723 |
| Weighted residual factors for significantly intense reflections | 0.0854 |
| Weighted residual factors for all reflections included in the refinement | 0.1282 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.961 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301866 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 7/23/ Each referenced PubChem compound corresponds to the full crystal structure. |
7231097.cif |
| 230114 | 2019-11-17 | cif/ Updating files of 7231095, 7231096, 7231097, 7231098, 7231099, 7231100, 7231101 Original log message: Adding full bibliography for 7231095--7231101.cif. |
7231097.cif |
| 208934 | 2018-07-10 | cif/ Adding structures of 7231095, 7231096, 7231097, 7231098, 7231099, 7231100, 7231101 via cif-deposit CGI script. |
7231097.cif |
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Users of the data should acknowledge the original authors of the
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