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Information card for entry 4003939
Preview
| Coordinates | 4003939.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 | 10.3565 ± 0.0005 Å |
| b | 10.3565 ± 0.0005 Å |
| c | 44.4604 ± 0.0019 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 4129.8 ± 0.3 Å3 |
| Cell temperature | 269 K |
| Ambient diffraction temperature | 269 K |
| Number of distinct elements | 4 |
| Space group number | 170 |
| Hermann-Mauguin space group symbol | P 65 |
| Hall space group symbol | P 65 |
| Residual factor for all reflections | 0.0869 |
| Residual factor for significantly intense reflections | 0.0489 |
| Weighted residual factors for significantly intense reflections | 0.0928 |
| Weighted residual factors for all reflections included in the refinement | 0.1119 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.062 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 265194 (current) | 2021-05-14 | cif/ Adding structures of 4003935, 4003936, 4003937, 4003938, 4003939, 4003940 via cif-deposit CGI script. |
4003939.cif |
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Users of the data should acknowledge the original authors of the
structural data.