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Information card for entry 7250787
Preview
| Coordinates | 7250787.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C42 H34 O7 |
|---|---|
| Calculated formula | C42 H34 O7 |
| Title of publication | Methyl itaconate–anthracene adducts (MIAs) facilitate the enantiomeric separation of 1,1′-bi-2-naphthols via thin-layer chromatography (TLC) with trends predicted by molecular dynamics simulations |
| Authors of publication | Sinthopweha, Wichai; Khamto, Nopawit; Rithchumpon, Puracheth; Meepowpan, Puttinan |
| Journal of publication | RSC Advances |
| Year of publication | 2025 |
| Journal volume | 15 |
| Journal issue | 34 |
| Pages of publication | 28063 - 28074 |
| a | 10.4163 ± 0.0004 Å |
| b | 12.2293 ± 0.0004 Å |
| c | 15.1051 ± 0.0005 Å |
| α | 90.877 ± 0.003° |
| β | 106.567 ± 0.003° |
| γ | 112.991 ± 0.003° |
| Cell volume | 1680.19 ± 0.12 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1094 |
| Residual factor for significantly intense reflections | 0.0661 |
| Weighted residual factors for significantly intense reflections | 0.1817 |
| Weighted residual factors for all reflections included in the refinement | 0.2087 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.076 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301678 (current) | 2025-08-07 | cif/ Adding structures of 7250784, 7250785, 7250786, 7250787 via cif-deposit CGI script. |
7250787.cif |
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Users of the data should acknowledge the original authors of the
structural data.