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Information card for entry 1570369
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Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 1570369.cif |
---|---|
Original IUCr paper | HTML |
Chemical name | Methyl 1-(4-fluorobenzyl)-1<i>H</i>-indazole-3-carboxylate |
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Formula | C16 H13 F N2 O2 |
Calculated formula | C16 H13 F N2 O2 |
Title of publication | Methyl 1-(4-fluorobenzyl)-1H-indazole-3-carboxylate |
Authors of publication | Doi, Takahiro; Sakai, Takayuki |
Journal of publication | IUCrData |
Year of publication | 2023 |
Journal volume | 8 |
Journal issue | 11 |
a | 5.04322 ± 0.00003 Å |
b | 18.11509 ± 0.00013 Å |
c | 14.46487 ± 0.0001 Å |
α | 90° |
β | 90.46 ± 0.0006° |
γ | 90° |
Cell volume | 1321.44 ± 0.015 Å3 |
Cell temperature | 100 ± 0.11 K |
Ambient diffraction temperature | 100 ± 0.11 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0315 |
Residual factor for significantly intense reflections | 0.0309 |
Weighted residual factors for significantly intense reflections | 0.0772 |
Weighted residual factors for all reflections included in the refinement | 0.0778 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.026 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54184 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/1570369.html
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Users of the data should acknowledge the original authors of the
structural data.