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Information card for entry 1544212
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| Coordinates | 1544212.cif |
|---|---|
| Structure factors | 1544212.hkl |
| Original IUCr paper | HTML |
| Common name | 2,3-dihydro-1<i>H</i>-cyclopenta[<i>b</i>]indole-4-carboxylic acid <i>tert</i>-butyl ester |
|---|---|
| Chemical name | <i>tert</i>-Butyl 2,3-dihydro-1<i>H</i>-cyclopenta[<i>b</i>]indole-4-carboxylate |
| Formula | C16 H19 N O2 |
| Calculated formula | C16 H19 N O2 |
| Title of publication | <i>tert</i>-Butyl 2,3-dihydro-1<i>H</i>-cyclopenta[<i>b</i>]indole-4-carboxylate |
| Authors of publication | Jordon, Jason A.; Badenock, Jeanese C.; Gribble, Gordon W.; Kaur, Manpreet; Jasinski, Jerry P. |
| Journal of publication | IUCrData |
| Year of publication | 2016 |
| Journal volume | 1 |
| Journal issue | 9 |
| Pages of publication | x161468 |
| a | 19.6761 ± 0.0011 Å |
| b | 7.233 ± 0.0004 Å |
| c | 9.9258 ± 0.0007 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1412.61 ± 0.15 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 62 |
| Hermann-Mauguin space group symbol | P n m a |
| Hall space group symbol | -P 2ac 2n |
| Residual factor for all reflections | 0.0672 |
| Residual factor for significantly intense reflections | 0.056 |
| Weighted residual factors for significantly intense reflections | 0.1389 |
| Weighted residual factors for all reflections included in the refinement | 0.1465 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.105 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 186802 (current) | 2016-09-28 | cif/ hkl/ Adding structures of 1544212 via cif-deposit CGI script. |
1544212.cif 1544212.hkl |
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Users of the data should acknowledge the original authors of the
structural data.