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Information card for entry 1542371
Preview
| Coordinates | 1542371.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C25.5 H16 Cl N O2 |
|---|---|
| Calculated formula | C25.5 H16 Cl N O2 |
| SMILES | ClCCl.O1C(=O)c2n3c4ccccc4ccc3c(c2c2c1cccc2)c1ccccc1 |
| Title of publication | Visible-Light-Promoted and Yb(OTf)3-Catalyzed Constructions of Coumarin-Pyrrole-(Iso)quinoline-Fused Pentacycles: Synthesis of Lamellarin Core, Lamellarin D Trimethyl Ether, and Lamellarin H. |
| Authors of publication | Manjappa, Kiran B.; Syu, Jia-Ru; Yang, Ding-Yah |
| Journal of publication | Organic letters |
| Year of publication | 2016 |
| Journal volume | 18 |
| Journal issue | 2 |
| Pages of publication | 332 - 335 |
| a | 24.07 ± 0.002 Å |
| b | 7.6955 ± 0.0005 Å |
| c | 22.2172 ± 0.0019 Å |
| α | 90° |
| β | 117.372 ± 0.011° |
| γ | 90° |
| Cell volume | 3654.6 ± 0.6 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0814 |
| Residual factor for significantly intense reflections | 0.0515 |
| Weighted residual factors for significantly intense reflections | 0.1066 |
| Weighted residual factors for all reflections included in the refinement | 0.1233 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.022 |
| 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 |
|---|---|---|---|
| 301779 (current) | 2025-08-18 | Add cross-references to PubChem compounds in COD range 1/54 Each referenced PubChem compound corresponds to the full crystal structure. |
1542371.cif |
| 215051 | 2019-05-13 | cif/1 Fixing Z values and formulae |
1542371.cif |
| 175732 | 2016-02-04 | cif/ Adding structures of 1542371 via cif-deposit CGI script. |
1542371.cif |
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.
Users of the data should acknowledge the original authors of the
structural data.