Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7238995
Preview
| Coordinates | 7238995.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | macrocycle |
|---|---|
| Chemical name | (6Z,16E)-2,9-Dioxa-17-methoxycarbonyltricyclo[17.3.0.010,15]docosane-1(19),6,10(15),11,13,16-hexaen-20-one |
| Formula | C22 H24 O5 |
| Calculated formula | C22 H24 O5 |
| Title of publication | The Baylis‒Hillman acetates in organic synthesis: development of a facile strategy for synthesis of functionalized unsaturated benzo-fused macrocyclic ethers and [n] metacyclophanes |
| Authors of publication | Basavaiah, Deevi; Kumar, Katta Santosh; Aravindu, Kunche; Lingaiah, Balthu |
| Journal of publication | RSC Advances |
| Year of publication | 2013 |
| Journal volume | 3 |
| Journal issue | 25 |
| Pages of publication | 9629 |
| a | 8.6741 ± 0.0009 Å |
| b | 9.1126 ± 0.0009 Å |
| c | 12.8419 ± 0.0011 Å |
| α | 96.627 ± 0.007° |
| β | 102.887 ± 0.008° |
| γ | 106.395 ± 0.009° |
| Cell volume | 931.84 ± 0.17 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 | 0.0727 |
| Residual factor for significantly intense reflections | 0.0471 |
| Weighted residual factors for significantly intense reflections | 0.1042 |
| Weighted residual factors for all reflections included in the refinement | 0.1214 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.035 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 244503 (current) | 2019-11-28 | cif/ Adding structures of 7238995, 7238996, 7238997, 7238998, 7238999, 7239000, 7239001, 7239002, 7239003, 7239004 via cif-deposit CGI script. |
7238995.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.