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Information card for entry 4500034
Preview
| Coordinates | 4500034.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | β' 1,4 butanediol distearate |
|---|---|
| Formula | C40 H78 O4 |
| Calculated formula | C40 H78 O4 |
| Title of publication | Monotropic Polymorphism in Ester-Based Phase Change Materials from Fatty Acids and 1,4-Butanediol |
| Authors of publication | Cabus, S.; Bogaerts, K.; Van Mechelen, J.; Smet, M.; Goderis, B. |
| Journal of publication | Crystal Growth & Design |
| Year of publication | 2013 |
| Journal volume | 13 |
| Journal issue | 8 |
| Pages of publication | 3438 - 3446 |
| a | 5.05088 ± 0.00025 Å |
| b | 14.7935 ± 0.0006 Å |
| c | 51.933 ± 0.006 Å |
| α | 90° |
| β | 92.465 ± 0.015° |
| γ | 90° |
| Cell volume | 3876.9 ± 0.5 Å3 |
| Cell temperature | 293 K |
| Ambient diffraction temperature | 293 K |
| Number of distinct elements | 3 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/a 1 |
| Hall space group symbol | -P 2yab |
| RFsqd | 0.10927 |
| Goodness-of-fit parameter for all reflections | 3.14 |
| Method of determination | powder diffraction |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.5418 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 1359 (current) | 2025-07-01 | cif/ Adding structures of 4500034 via cif-deposit CGI script. |
4500034.cif |
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