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Information card for entry 4026606
Preview
Coordinates | 4026606.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C16 H14 N2 O4 |
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Calculated formula | C16 H14 N2 O4 |
SMILES | n1ccc([C@@H]2[C@@H]([C@H]([C@H]2C(=O)O)C(=O)O)c2ccncc2)cc1 |
Title of publication | Role of Anions in the Synthesis of Cyclobutane Derivatives via [2 + 2] Cycloaddition Reaction in the Solid State and Their Isomerization in Solution |
Authors of publication | Goutam Kumar Kole; Geok Kheng Tan; Jagadese J. Vittal |
Journal of publication | Journal of Organic Chemistry |
Year of publication | 2011 |
Journal volume | 76 |
Pages of publication | 7860 - 7865 |
a | 14.723 ± 0.002 Å |
b | 9.6367 ± 0.0014 Å |
c | 10.5485 ± 0.0016 Å |
α | 90° |
β | 118.305 ± 0.003° |
γ | 90° |
Cell volume | 1317.7 ± 0.3 Å3 |
Cell temperature | 223 ± 2 K |
Ambient diffraction temperature | 223 ± 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 | 0.1417 |
Residual factor for significantly intense reflections | 0.1405 |
Weighted residual factors for significantly intense reflections | 0.344 |
Weighted residual factors for all reflections included in the refinement | 0.3471 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.666 |
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/4026606.html
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