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Information card for entry 7052233
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Coordinates | 7052233.cif |
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Original paper (by DOI) | HTML |
Common name | 2,3-bis(4-benzyloxy-3-methoxy-benzilidene)-succinic acid buthanol solvate |
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Chemical name | 2,3-bis(4-benzyloxy-3-methoxy-benzilidene)-succinic acid buthanol solvate |
Formula | C38 H40 O9 |
Calculated formula | C38 H40 O9 |
Title of publication | Structural and conformational study of two solvates of a fulgenic acid derivative |
Authors of publication | Giannellini, Valerio; Bambagiotti-Alberti, Massimo; Bruni, Bruno; Di Vaira, Massimo |
Journal of publication | New Journal of Chemistry |
Year of publication | 2006 |
Journal volume | 30 |
Journal issue | 4 |
Pages of publication | 647 |
a | 10.929 ± 0.001 Å |
b | 11.708 ± 0.001 Å |
c | 15.385 ± 0.002 Å |
α | 101.68 ± 0.01° |
β | 106.69 ± 0.01° |
γ | 96.91 ± 0.01° |
Cell volume | 1812.9 ± 0.4 Å3 |
Cell temperature | 295 ± 2 K |
Ambient diffraction temperature | 295 ± 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 | 0.1054 |
Residual factor for significantly intense reflections | 0.0577 |
Weighted residual factors for significantly intense reflections | 0.1575 |
Weighted residual factors for all reflections included in the refinement | 0.1774 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.787 |
Diffraction radiation wavelength | 1.5418 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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