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Information card for entry 4103766
Preview
Coordinates | 4103766.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | (diethynylbenzylNH3)2og methanol |
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Formula | C30 H34 N4 O8 |
Calculated formula | C30 H34 N4 O8 |
SMILES | C(c1ccc(cc1)C#CC#C)[NH3+].N(CC(=O)[O-])C(=O)C(=O)NCC(=O)[O-].OC.C(c1ccc(cc1)C#CC#C)[NH3+].OC |
Title of publication | Weak Interactions Dominating the Supramolecular Self-Assembly in a Salt: A Designed Single-Crystal-to-Single-Crystal Topochemical Polymerization of a Terminal Aryldiacetylene |
Authors of publication | Zhong Li; Frank W. Fowler; Joseph W. Lauher |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2009 |
Journal volume | 131 |
Pages of publication | 634 - 643 |
a | 13.594 ± 0.005 Å |
b | 8.266 ± 0.003 Å |
c | 13.865 ± 0.005 Å |
α | 90° |
β | 100.435 ± 0.006° |
γ | 90° |
Cell volume | 1532.2 ± 1 Å3 |
Cell temperature | 273 ± 2 K |
Ambient diffraction temperature | 273 ± 2 K |
Number of distinct elements | 4 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.1736 |
Residual factor for significantly intense reflections | 0.0974 |
Weighted residual factors for significantly intense reflections | 0.1081 |
Weighted residual factors for all reflections included in the refinement | 0.1831 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.833 |
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/4103766.html
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