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Information card for entry 4021671
Preview
Coordinates | 4021671.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C22 H24 N O4 |
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Calculated formula | C22 H27 N O4 |
SMILES | O(C(=C(C)C)C1[C@H]2[C@H]3N([C@H](c4c3cccc4)[C@@H]12)C(=O)OC(C)(C)C)C(=O)C |
Title of publication | CpRuCl(PPh~3~)~2~-Catalyzed Cyclopropanation of Bicyclic Alkenes with Tertiary Propargylic Acetates |
Authors of publication | Alphonse Tenaglia; Sylvain Marc |
Journal of publication | Journal of Organic Chemistry |
Year of publication | 2006 |
Journal volume | 71 |
Pages of publication | 3569 - 3575 |
a | 30.991 ± 0.0003 Å |
b | 6.095 ± 0.0001 Å |
c | 26.505 ± 0.0005 Å |
α | 90° |
β | 125.089 ± 0.0006° |
γ | 90° |
Cell volume | 4096.64 ± 0.11 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 4 |
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 | 0.1255 |
Residual factor for significantly intense reflections | 0.0667 |
Weighted residual factors for significantly intense reflections | 0.1846 |
Weighted residual factors for all reflections included in the refinement | 0.2282 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.032 |
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/4021671.html
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