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Information card for entry 7229909
Preview
Coordinates | 7229909.cif |
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Original paper (by DOI) | HTML |
Formula | C26 H20 N3 O4 |
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Calculated formula | C26 H20 N3 O4 |
Title of publication | Co-crystals and Salts of Vanillic Acid and Vanillin with Amines |
Authors of publication | Amombo Noa, Francoise M.; Mehlana, Gift |
Journal of publication | CrystEngComm |
Year of publication | 2018 |
Journal volume | 20 |
Journal issue | 7 |
Pages of publication | 896 - 905 |
a | 7.1376 ± 0.0004 Å |
b | 9.5383 ± 0.0005 Å |
c | 16.6511 ± 0.0009 Å |
α | 98.339 ± 0.001° |
β | 101.009 ± 0.001° |
γ | 108.288 ± 0.001° |
Cell volume | 1030.69 ± 0.1 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 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 | 0.0501 |
Residual factor for significantly intense reflections | 0.0399 |
Weighted residual factors for significantly intense reflections | 0.1025 |
Weighted residual factors for all reflections included in the refinement | 0.1084 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.068 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
218546 (current) | 2019-09-19 | cif/7/22/99/ Updated bibliographic information in entries 7229901-7229909. |
7229909.cif |
204961 | 2018-01-09 | cif/ Adding structures of 7229901, 7229902, 7229903, 7229904, 7229905, 7229906, 7229907, 7229908, 7229909 via cif-deposit CGI script. |
7229909.cif |
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Users of the data should acknowledge the original authors of the
structural data.