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Information card for entry 7153471
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Coordinates | 7153471.cif |
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Original paper (by DOI) | HTML |
Common name | 12b-Hydroxy-1,3-dimethoxy-5,12b-dihydro-6H-isoindolo(1,2- a)isoquinolin-8-one |
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Chemical name | 12b-Hydroxy-1,3-dimethoxy-5,12b-dihydro-6H-isoindolo[1,2-a]isoquinolin-8-one |
Formula | C18 H17 N O4 |
Calculated formula | C18 H17 N O4 |
SMILES | OC12N(C(=O)c3c1cccc3)CCc1cc(OC)cc(OC)c21 |
Title of publication | An unusual reactivity of BBr(3): Accessing tetrahydroisoquinoline units from N-phenethylimides. |
Authors of publication | Selvakumar, Jayaraman; Makriyannis, Alexandros; Ramanathan, Chinnasamy Ramaraj |
Journal of publication | Organic & biomolecular chemistry |
Year of publication | 2010 |
Journal volume | 8 |
Journal issue | 18 |
Pages of publication | 4056 - 4058 |
a | 11.202 ± 0.005 Å |
b | 6.303 ± 0.003 Å |
c | 21.577 ± 0.01 Å |
α | 90° |
β | 103.609 ± 0.007° |
γ | 90° |
Cell volume | 1480.7 ± 1.2 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 4 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0962 |
Residual factor for significantly intense reflections | 0.0716 |
Weighted residual factors for significantly intense reflections | 0.1904 |
Weighted residual factors for all reflections included in the refinement | 0.2052 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.072 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/7153471.html
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