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Information card for entry 4034760
Preview
Coordinates | 4034760.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C12 H15 N O4 |
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Calculated formula | C12 H15 N O4 |
SMILES | O1[C@H](Cc2c(ccc(c12)C)N(=O)=O)C(O)(C)C |
Title of publication | Enantioselective Total Synthesis and Assignment of the Absolute Configuration of the Furo[3,2- a]carbazole Alkaloid Furoclausine-B. |
Authors of publication | Spindler, Benedikt; Kataeva, Olga; Knölker, Hans-Joachim |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2018 |
Journal volume | 83 |
Journal issue | 24 |
Pages of publication | 15136 - 15143 |
a | 8.4894 ± 0.0001 Å |
b | 11.0722 ± 0.0002 Å |
c | 12.8612 ± 0.0002 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1208.91 ± 0.03 Å3 |
Cell temperature | 198 ± 2 K |
Ambient diffraction temperature | 198 ± 2 K |
Number of distinct elements | 4 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.0281 |
Residual factor for significantly intense reflections | 0.0276 |
Weighted residual factors for significantly intense reflections | 0.0763 |
Weighted residual factors for all reflections included in the refinement | 0.0766 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.054 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4034760.html
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