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Information card for entry 7153470
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Coordinates | 7153470.cif |
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Original paper (by DOI) | HTML |
Common name | 12b-Hydroxy-2,3-dimethoxy-5,12b-dihydro-6H-isoindolo(1,2- a)isoquinolin-8-one |
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Chemical name | 12b-Hydroxy-2,3-dimethoxy-5,12b-dihydro-6H-isoindolo[1,2-a]isoquinolin-8-one |
Formula | C18 H17 N O4 |
Calculated formula | C18 H17 N O4 |
SMILES | O=C1N2CCc3cc(OC)c(OC)cc3C2(O)c2c1cccc2 |
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 | 8.508 ± 0.003 Å |
b | 10.588 ± 0.003 Å |
c | 16.707 ± 0.005 Å |
α | 90° |
β | 93.589 ± 0.005° |
γ | 90° |
Cell volume | 1502.1 ± 0.8 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 | 0.0954 |
Residual factor for significantly intense reflections | 0.0553 |
Weighted residual factors for significantly intense reflections | 0.1152 |
Weighted residual factors for all reflections included in the refinement | 0.1305 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.021 |
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/7153470.html
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