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Information card for entry 8102187
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Coordinates | 8102187.cif |
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Chemical name | 2-carboxybenzaldehyde furan-2-carbohydrazide methanol hemisolvate |
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Formula | C13.5 H12 N2 O4.5 |
Calculated formula | C13.5 H12 N2 O4.5 |
Title of publication | Crystal structure of 2-carboxybenzaldehyde furan-2-carbohydrazide methanol hemisolvate, C~13~H~10~N~2~O~4~ · 0~.~5CH~3~OH |
Authors of publication | Tai, Xi-Shi; Yin, Jie; Kong, Fan-Yuan |
Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
Year of publication | 2007 |
Journal volume | 222 |
Journal issue | 4 |
Pages of publication | 401 - 402 |
a | 9.1625 ± 0.0013 Å |
b | 10.8104 ± 0.0019 Å |
c | 14.19 ± 0.002 Å |
α | 107.309 ± 0.003° |
β | 101.878 ± 0.003° |
γ | 92.192 ± 0.002° |
Cell volume | 1305.7 ± 0.3 Å3 |
Cell temperature | 298 ± 2 K |
Ambient diffraction temperature | 298 ± 2 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0907 |
Residual factor for significantly intense reflections | 0.0453 |
Weighted residual factors for significantly intense reflections | 0.1038 |
Weighted residual factors for all reflections included in the refinement | 0.132 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.003 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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