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Information card for entry 4003928
Preview
| Coordinates | 4003928.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C32 H38 N2 O5 |
|---|---|
| Calculated formula | C32 H38 N2 O5 |
| Title of publication | Structure‒Thermomechanical Property Correlation in Polymorphic Molecular Crystals Probed by the Nanoindentation Technique |
| Authors of publication | Su, Yuan; Bhunia, Surojit; Xu, Shuyuan; Chen, An; Reddy, C. Malla; Cai, Ting |
| Journal of publication | Chemistry of Materials |
| Year of publication | 2021 |
| a | 12.7322 ± 0.0011 Å |
| b | 14.7905 ± 0.0014 Å |
| c | 15.5123 ± 0.0013 Å |
| α | 90° |
| β | 104.838 ± 0.003° |
| γ | 90° |
| Cell volume | 2823.8 ± 0.4 Å3 |
| Cell temperature | 298 K |
| Ambient diffraction temperature | 298 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.1112 |
| Residual factor for significantly intense reflections | 0.0624 |
| Weighted residual factors for significantly intense reflections | 0.156 |
| Weighted residual factors for all reflections included in the refinement | 0.1951 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.032 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 265192 (current) | 2021-05-14 | cif/ Adding structures of 4003923, 4003924, 4003925, 4003926, 4003927, 4003928 via cif-deposit CGI script. |
4003928.cif |
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Users of the data should acknowledge the original authors of the
structural data.