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Information card for entry 7123577
Preview
| Coordinates | 7123577.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C29 H24 O5 |
|---|---|
| Calculated formula | C29 H24 O5 |
| Title of publication | Construction of polycyclic bridged indene derivatives by a tandem 1,3-rearrangement/intramolecular Friedel-Crafts cyclization of propargyl acetates |
| Authors of publication | Zhu, Shifa; Zhang, Jiantao; Liao, Zhehui; Chen, Lianfen; Jiang, Huanfeng |
| Journal of publication | Chemical Communications |
| Year of publication | 2019 |
| a | 10.1019 ± 0.001 Å |
| b | 10.2418 ± 0.0011 Å |
| c | 11.659 ± 0.0011 Å |
| α | 68.442 ± 0.01° |
| β | 84.392 ± 0.008° |
| γ | 87.479 ± 0.008° |
| Cell volume | 1116.5 ± 0.2 Å3 |
| Cell temperature | 100 ± 0.1 K |
| Ambient diffraction temperature | 100 ± 0.1 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 | 0.0923 |
| Residual factor for significantly intense reflections | 0.0721 |
| Weighted residual factors for significantly intense reflections | 0.1811 |
| Weighted residual factors for all reflections included in the refinement | 0.2026 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.029 |
| 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 |
|---|---|---|---|
| 301860 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/12/ Each referenced PubChem compound corresponds to the full crystal structure. |
7123577.cif |
| 215613 | 2019-05-31 | cif/ Adding structures of 7123577, 7123578, 7123579 via cif-deposit CGI script. |
7123577.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.