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Information card for entry 1503992
Preview
Coordinates | 1503992.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C36 H29 N O2 S |
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Calculated formula | C36 H29 N O2 S |
SMILES | S(=O)(=O)(NC1C(=C(c2c1cccc2)c1ccccc1)C(=C\c1ccccc1)\c1ccccc1)c1ccc(cc1)C |
Title of publication | Synthesis of functionalized indenes via cascade reaction of aziridines and propargyl alcohols. |
Authors of publication | Wang, Shaoyin; Zhu, Yuanxun; Wang, Yanguang; Lu, Ping |
Journal of publication | Organic letters |
Year of publication | 2009 |
Journal volume | 11 |
Journal issue | 12 |
Pages of publication | 2615 - 2618 |
a | 21.5239 ± 0.0014 Å |
b | 10.7271 ± 0.0007 Å |
c | 26.8898 ± 0.0018 Å |
α | 90° |
β | 113.017 ± 0.001° |
γ | 90° |
Cell volume | 5714.3 ± 0.7 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 5 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.0678 |
Residual factor for significantly intense reflections | 0.0507 |
Weighted residual factors for significantly intense reflections | 0.1272 |
Weighted residual factors for all reflections included in the refinement | 0.1358 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.045 |
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/1503992.html
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