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Information card for entry 4024221
Preview
Coordinates | 4024221.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C18 H28 N4 O2 |
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Calculated formula | C18 H28 N4 O2 |
SMILES | C1(=O)NCCCCCCCCNC(=O)NCc2cccc(CN1)c2 |
Title of publication | Examination of the Structural Features That Favor the Columnar Self-Assembly of Bis-urea Macrocycles |
Authors of publication | Jun Yang; Mahender B. Dewal; David Sobransingh; Mark D. Smith; Yuewen Xu; Linda S. Shimizu |
Journal of publication | Journal of Organic Chemistry |
Year of publication | 2009 |
Journal volume | 74 |
Pages of publication | 102 - 110 |
a | 12.8503 ± 0.0007 Å |
b | 12.9078 ± 0.0007 Å |
c | 44.377 ± 0.003 Å |
α | 90° |
β | 97.186 ± 0.001° |
γ | 90° |
Cell volume | 7303 ± 0.7 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 4 |
Space group number | 9 |
Hermann-Mauguin space group symbol | C 1 c 1 |
Hall space group symbol | C -2yc |
Residual factor for all reflections | 0.0563 |
Residual factor for significantly intense reflections | 0.0438 |
Weighted residual factors for significantly intense reflections | 0.1061 |
Weighted residual factors for all reflections included in the refinement | 0.1124 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.002 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4024221.html
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