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Information card for entry 3500130
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| Coordinates | 3500130.cif |
|---|---|
| Structure factors | 3500130.hkl |
| Common name | tetrakis[(3,5-dimethoxybenzyloxy) methyl]methane |
|---|---|
| Formula | C41 H52 O12 |
| Calculated formula | C41 H52 O12 |
| Title of publication | tetrakis[(3,5-dimethoxybenzyloxy) methyl]methane |
| Authors of publication | Maris, Thierry; Laliberté, Dominic; Wuest, James D. |
| Journal of publication | Personal communication to COD |
| Year of publication | 2022 |
| a | 26.1308 ± 0.0002 Å |
| b | 26.1308 ± 0.0002 Å |
| c | 5.4539 ± 0.0001 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3724.02 ± 0.08 Å3 |
| Cell temperature | 150 K |
| Ambient diffraction temperature | 150.15 K |
| Number of distinct elements | 3 |
| Space group number | 88 |
| Hermann-Mauguin space group symbol | I 41/a :2 |
| Hall space group symbol | -I 4ad |
| Residual factor for all reflections | 0.0388 |
| Residual factor for significantly intense reflections | 0.0312 |
| Weighted residual factors for significantly intense reflections | 0.0755 |
| Weighted residual factors for all reflections included in the refinement | 0.0807 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.035 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 278488 (current) | 2022-10-07 | cif/ hkl/ Adding structures of 3500130 via cif-deposit CGI script. |
3500130.cif 3500130.hkl |
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