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Information card for entry 1502958
Preview
Coordinates | 1502958.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C17 H19 N O4 |
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Calculated formula | C17 H19 N O4 |
SMILES | N1(C(=O)C2C(CC(=C(c3cccc1c23)C(=O)OC)O)(C)C)C |
Title of publication | Approaches to N-methylwelwitindolinone C isothiocyanate: facile synthesis of the tetracyclic core. |
Authors of publication | Heidebrecht, Jr, Richard W; Gulledge, Brian; Martin, Stephen F. |
Journal of publication | Organic letters |
Year of publication | 2010 |
Journal volume | 12 |
Journal issue | 11 |
Pages of publication | 2492 - 2495 |
a | 9.2401 ± 0.0001 Å |
b | 35.6299 ± 0.0004 Å |
c | 9.4474 ± 0.0001 Å |
α | 90° |
β | 100.319 ± 0.001° |
γ | 90° |
Cell volume | 3060 ± 0.06 Å3 |
Cell temperature | 153 ± 2 K |
Ambient diffraction temperature | 153 ± 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 | 0.063 |
Residual factor for significantly intense reflections | 0.0433 |
Weighted residual factors for significantly intense reflections | 0.0989 |
Weighted residual factors for all reflections included in the refinement | 0.108 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.999 |
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/1502958.html
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