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Information card for entry 7238799
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Coordinates | 7238799.cif |
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Original paper (by DOI) | HTML |
Formula | C14 H15 N O2 |
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Calculated formula | C14 H15 N O2 |
Title of publication | Silver(i)-promoted oxidative cyclisation to pyrrolo[2,1-a]isoquinolines and application to the synthesis of (±)-crispine A |
Authors of publication | Agarwal, Sameer; Kataeva, Olga; Schmidt, Ulrike; Knölker, Hans-Joachim |
Journal of publication | RSC Adv. |
Year of publication | 2013 |
Journal volume | 3 |
Journal issue | 4 |
Pages of publication | 1089 |
a | 7.082 ± 0.001 Å |
b | 8.632 ± 0.001 Å |
c | 10.345 ± 0.001 Å |
α | 65.37 ± 0.01° |
β | 88.98 ± 0.01° |
γ | 83.89 ± 0.01° |
Cell volume | 571.36 ± 0.13 Å3 |
Cell temperature | 198 ± 2 K |
Ambient diffraction temperature | 198 ± 2 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0735 |
Residual factor for significantly intense reflections | 0.0428 |
Weighted residual factors for significantly intense reflections | 0.0925 |
Weighted residual factors for all reflections included in the refinement | 0.106 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.061 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
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244360 (current) | 2019-11-28 | cif/ Adding structures of 7238799 via cif-deposit CGI script. |
7238799.cif |
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Users of the data should acknowledge the original authors of the
structural data.