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Information card for entry 1505107
Preview
Coordinates | 1505107.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C14 H18 O7 |
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Calculated formula | C14 H18 O7 |
SMILES | c1(cc(cc(c1)C(=O)O)C(=O)O)C(=O)O.OCCCCC |
Title of publication | Crystal Engineering in Two Dimensions: An Approach to Molecular Nanopatterning |
Authors of publication | Nath, K.G.; Ivasenko, O.; MacLeod, J.M.; Miwa, J.A.; Wuest, J.D.; Nanci, A.; Perepichka, D.F.; Rosei, F. |
Journal of publication | Journal of Physical Chemistry C |
Year of publication | 2007 |
Journal volume | 111 |
Journal issue | 45 |
Pages of publication | 16996 |
a | 8.2498 ± 0.0004 Å |
b | 8.4731 ± 0.0003 Å |
c | 11.977 ± 0.0005 Å |
α | 94.3739 ± 0.0016° |
β | 104.872 ± 0.0019° |
γ | 110.386 ± 0.002° |
Cell volume | 745.69 ± 0.06 Å3 |
Cell temperature | 220 ± 2 K |
Ambient diffraction temperature | 220 ± 2 K |
Number of distinct elements | 3 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0363 |
Residual factor for significantly intense reflections | 0.035 |
Weighted residual factors for significantly intense reflections | 0.1001 |
Weighted residual factors for all reflections included in the refinement | 0.1018 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.062 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
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/1505107.html
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