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Information card for entry 7105463
Preview
Coordinates | 7105463.cif |
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Original paper (by DOI) | HTML |
Formula | C26 H18 N2 O4 S |
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Calculated formula | C26 H18 N2 O4 S |
SMILES | N(C#CC#CC#Cc1ccc(cc1)N(=O)=O)(S(=O)(=O)c1ccc(cc1)C)Cc1ccccc1 |
Title of publication | Synthesis and molecular properties of donor-pi-spacer-acceptor ynamides with up to four conjugated alkyne units. |
Authors of publication | Witulski, Bernhard; Schweikert, Torsten; Schollmeyer, Dieter; Nemkovich, Nicolai A |
Journal of publication | Chemical communications (Cambridge, England) |
Year of publication | 2010 |
Journal volume | 46 |
Journal issue | 17 |
Pages of publication | 2953 - 2955 |
a | 7.637 ± 0.0011 Å |
b | 7.8133 ± 0.0011 Å |
c | 19.483 ± 0.003 Å |
α | 82.132 ± 0.009° |
β | 81.809 ± 0.009° |
γ | 76.056 ± 0.009° |
Cell volume | 1110.4 ± 0.3 Å3 |
Cell temperature | 193 ± 2 K |
Ambient diffraction temperature | 193 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0943 |
Residual factor for significantly intense reflections | 0.0538 |
Weighted residual factors for significantly intense reflections | 0.1222 |
Weighted residual factors for all reflections included in the refinement | 0.1342 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.891 |
Diffraction radiation wavelength | 0.71069 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/7105463.html
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