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Information card for entry 8107248
Preview
| Coordinates | 8107248.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C19 H17 Br O3 |
|---|---|
| Calculated formula | C19 H17 Br O3 |
| Title of publication | Crystal structure of (E)-7-bromo-2-(3,5-dimethoxybenzylidene)-3,4-dihydronaphthalen-1(2H)-one, C19H17BrO3 |
| Authors of publication | Zhang, Yu-Long; Liu, Shu-Lian; Hou, Gui-Ge; Wang, Lei; Zhang, Xiao-Fan |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2022 |
| Journal volume | 237 |
| Journal issue | 5 |
| Pages of publication | 907 - 909 |
| a | 8.2887 ± 0.0007 Å |
| b | 8.419 ± 0.0012 Å |
| c | 13.1164 ± 0.0015 Å |
| α | 93.634 ± 0.011° |
| β | 90.609 ± 0.009° |
| γ | 118.201 ± 0.011° |
| Cell volume | 804.17 ± 0.18 Å3 |
| Cell temperature | 150 ± 0.1 K |
| Ambient diffraction temperature | 150 ± 0.1 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0862 |
| Residual factor for significantly intense reflections | 0.0738 |
| Weighted residual factors for significantly intense reflections | 0.1561 |
| Weighted residual factors for all reflections included in the refinement | 0.1614 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.153 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 283954 (current) | 2023-05-23 | cif/ Adding structures of 8107248 via cif-deposit CGI script. |
8107248.cif |
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Users of the data should acknowledge the original authors of the
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