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Information card for entry 4509797
Preview
Coordinates | 4509797.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C13 H14 F N3 O4 |
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Calculated formula | C13 H14 F N3 O4 |
SMILES | Fc1ccc(CC[NH3+])cc1.OC(=O)c1n[nH]c(c1)C(=O)[O-] |
Title of publication | Synthesis and Control of Single Layer and Polar 2-D Layered Architectures in a Series of Organic Layered Solids |
Authors of publication | Ugono, Onome; Rath, Nigam P.; Beatty, Alica M. |
Journal of publication | Crystal Growth & Design |
Year of publication | 2009 |
Journal volume | 9 |
Journal issue | 11 |
Pages of publication | 4595 |
a | 16.4915 ± 0.0011 Å |
b | 6.5669 ± 0.0004 Å |
c | 13.6542 ± 0.0009 Å |
α | 90° |
β | 118.91 ± 0.003° |
γ | 90° |
Cell volume | 1294.44 ± 0.15 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 5 |
Space group number | 9 |
Hermann-Mauguin space group symbol | C 1 c 1 |
Hall space group symbol | C -2yc |
Residual factor for all reflections | 0.04 |
Residual factor for significantly intense reflections | 0.0354 |
Weighted residual factors for significantly intense reflections | 0.0923 |
Weighted residual factors for all reflections included in the refinement | 0.0956 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.09 |
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/4509797.html
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