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Information card for entry 7216617
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Coordinates | 7216617.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C31 H58 N2 O3 |
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Calculated formula | C31 H58 N2 O3 |
SMILES | [O-]C1=CC(=O)C(NCCCCCCCCCCCC)=CC1=[NH+]CCCCCCCCCCCC.OC |
Title of publication | Rapid and facile solvent-free mechanosynthesis in a cell lysis mill: preparation and mechanochemical complexation of aminobenzoquinones |
Authors of publication | Fang, Yuan; Salamé, Nadime; Woo, Simon; Bohle, D. Scott; Friščić, Tomislav; Cuccia, Louis A. |
Journal of publication | CrystEngComm |
Year of publication | 2014 |
Journal volume | 16 |
Journal issue | 31 |
Pages of publication | 7180 |
a | 6.6943 ± 0.0006 Å |
b | 15.4475 ± 0.0015 Å |
c | 15.5647 ± 0.0015 Å |
α | 94.626 ± 0.001° |
β | 98.453 ± 0.001° |
γ | 101.528 ± 0.001° |
Cell volume | 1549.9 ± 0.3 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0917 |
Residual factor for significantly intense reflections | 0.0724 |
Weighted residual factors for significantly intense reflections | 0.1856 |
Weighted residual factors for all reflections included in the refinement | 0.202 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.069 |
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/7216617.html
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Users of the data should acknowledge the original authors of the
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