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Information card for entry 4027660
Preview
Coordinates | 4027660.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C26 H30 Cl N O2 S |
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Calculated formula | C26 H30 Cl N O2 S |
SMILES | c1(ccc(C)cc1)S(=O)(=O)N1CC(=C(\c2ccccc2)Cl)\C2(CC(C)(C)CC=CC2)C1 |
Title of publication | Synthesis of 2-Azaspiro[4.6]undec-7-enes from N-Tosyl-N-(3-arylpropargyl)-Tethered 3-Methylcyclohex-2-en-1-ols |
Authors of publication | Ming-Chang P. Yeh; Chia-Jung Liang; Chern-Wei Fan; Wei-Hang Chiu; Jun-Yuan Lo |
Journal of publication | Journal of Organic Chemistry |
Year of publication | 2012 |
Journal volume | 77 |
Pages of publication | 9707 - 9717 |
a | 23.5879 ± 0.001 Å |
b | 10.0828 ± 0.0005 Å |
c | 20.9187 ± 0.001 Å |
α | 90° |
β | 102.153 ± 0.003° |
γ | 90° |
Cell volume | 4863.6 ± 0.4 Å3 |
Cell temperature | 200 ± 2 K |
Ambient diffraction temperature | 200 ± 2 K |
Number of distinct elements | 6 |
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 | 0.0835 |
Residual factor for significantly intense reflections | 0.0592 |
Weighted residual factors for significantly intense reflections | 0.1469 |
Weighted residual factors for all reflections included in the refinement | 0.1615 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.047 |
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/4027660.html
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