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Information card for entry 8102388
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Coordinates | 8102388.cif |
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Common name | Erysodine |
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Formula | C18 H21 N O3 |
Calculated formula | C18 H21 N O3 |
Title of publication | Crystal structure of (2R,13bS)-2,6,8,9-tetrahydro-2,12-dimethoxy-1H-indolo[1-a]isoquinolin-11-ol, C18H21NO3, Erysodine |
Authors of publication | Patricio Iturriaga-Vasquez; Olimpo Garcia-Beltran; Mairi F. Haddow |
Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
Year of publication | 2009 |
Journal volume | 224 |
Journal issue | 1 |
Pages of publication | 76 |
a | 14.169 ± 0.007 Å |
b | 8.533 ± 0.004 Å |
c | 19.863 ± 0.011 Å |
α | 90° |
β | 104.787 ± 0.015° |
γ | 90° |
Cell volume | 2322 ± 2 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 4 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.0571 |
Residual factor for significantly intense reflections | 0.0454 |
Weighted residual factors for significantly intense reflections | 0.1281 |
Weighted residual factors for all reflections included in the refinement | 0.1635 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.148 |
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/8102388.html
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