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Information card for entry 4107357
Preview
Coordinates | 4107357.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C20 H27 N O4 |
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Calculated formula | C20 H27 N O4 |
SMILES | C1(=O)[C@]2([C@](c3ccccc3O1)(CC)[C@@H](C2)OCC)C(=O)N(CC)CC.C1(=O)[C@@]2([C@@](c3ccccc3O1)(CC)[C@H](C2)OCC)C(=O)N(CC)CC |
Title of publication | Photosensitized 2 + 2 Cycloaddition Reaction Using Homochirality Generated by Spontaneous Crystallization |
Authors of publication | Masami Sakamoto; Mamoru Kato; Yoko Aida; Kazuyuki Fujita; Takashi Mino; Tsutomu Fujita |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2008 |
Journal volume | 130 |
Pages of publication | 1132 - 1133 |
a | 9.914 ± 0.002 Å |
b | 13.46 ± 0.003 Å |
c | 14.925 ± 0.004 Å |
α | 90° |
β | 108.382 ± 0.002° |
γ | 90° |
Cell volume | 1890 ± 0.8 Å3 |
Cell temperature | 173 K |
Ambient diffraction temperature | 173 K |
Number of distinct elements | 4 |
Space group number | 9 |
Hermann-Mauguin space group symbol | C 1 c 1 |
Hall space group symbol | C -2yc |
Residual factor for all reflections | 0.0393 |
Residual factor for significantly intense reflections | 0.0369 |
Weighted residual factors for significantly intense reflections | 0.106 |
Weighted residual factors for all reflections included in the refinement | 0.1086 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.967 |
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/4107357.html
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