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Information card for entry 7241931
Preview
| Coordinates | 7241931.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | A8 in manuscript |
|---|---|
| Formula | C18 H16 O4 |
| Calculated formula | C18 H16 O4 |
| SMILES | C(OC/C=C\1COC(=O)O1)c1ccc(cc1)c1ccccc1 |
| Title of publication | Copper-catalysed synthesis of α-alkylidene cyclic carbonates from propargylic alcohols and CO2 |
| Authors of publication | Cervantes-Reyes, Alejandro; Farshadfar, Kaveh; Rudolph, Matthias; Rominger, Frank; Schaub, Thomas; Ariafard, Alireza; Hashmi, A. Stephen K. |
| Journal of publication | Green Chemistry |
| Year of publication | 2021 |
| Journal volume | 23 |
| Journal issue | 2 |
| Pages of publication | 889 - 897 |
| a | 33.614 ± 0.006 Å |
| b | 6.0727 ± 0.001 Å |
| c | 14.459 ± 0.003 Å |
| α | 90° |
| β | 93.236 ± 0.003° |
| γ | 90° |
| Cell volume | 2946.8 ± 0.9 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.1147 |
| Residual factor for significantly intense reflections | 0.0593 |
| Weighted residual factors for significantly intense reflections | 0.1334 |
| Weighted residual factors for all reflections included in the refinement | 0.1601 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.04 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301870 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 7/24/ Each referenced PubChem compound corresponds to the full crystal structure. |
7241931.cif |
| 261715 | 2021-02-05 | cif/ Updating files of 7241930, 7241931 Original log message: Adding full bibliography for 7241930--7241931.cif. |
7241931.cif |
| 260110 | 2020-12-23 | cif/ Adding structures of 7241930, 7241931 via cif-deposit CGI script. |
7241931.cif |
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Users of the data should acknowledge the original authors of the
structural data.