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Information card for entry 4500015
Preview
| Coordinates | 4500015.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C6 H15 N O2 |
|---|---|
| Calculated formula | C6 H15 N O2 |
| Title of publication | A Solid-State Dehydration Process in an Organic Material Associated with Substantial Hydrogen-Bond Reorganization, Investigated by Powder X-ray Diffraction |
| Authors of publication | Martí-Rujas, Javier; Morte-Ródenas, Anabel; Guo, Fang; Thomas, Nigel; Fujii, Kotaro; Kariuki, Benson M.; Harris, Kenneth D. M. |
| Journal of publication | Crystal Growth & Design |
| Year of publication | 2010 |
| Journal volume | 10 |
| Journal issue | 7 |
| Pages of publication | 3176 - 3181 |
| a | 6.42596 ± 0.00015 Å |
| b | 7.19411 ± 0.00017 Å |
| c | 10.04415 ± 0.00026 Å |
| α | 66.6999 ± 0.0013° |
| β | 84.6295 ± 0.0015° |
| γ | 83.1542 ± 0.001° |
| Cell volume | 422.873 ± 0.018 Å3 |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| RFsqd | 0.08426 |
| Goodness-of-fit parameter for all reflections | 2.11 |
| Method of determination | powder diffraction |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54056 Å |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 1305 (current) | 2025-07-01 | cif/ Adding structures of 4500015 via cif-deposit CGI script. |
4500015.cif |
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Users of the data should acknowledge the original authors of the
structural data.