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Information card for entry 4507183
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Coordinates | 4507183.cif |
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Original paper (by DOI) | HTML |
Common name | brucinium N-(3,5-dinitrobenzoyl)-L-alaninate 3.58-hydrate |
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Formula | C33 H42.16 N5 O14.58 |
Calculated formula | C33 H42.186 N5 O14.593 |
Title of publication | Why Is the Resolution of Certain Racemic Modifications Inefficient? Formation of Diastereomeric Double Salts of Brucinium |
Authors of publication | Białońska, Agata; Ciunik, Zbigniew |
Journal of publication | Crystal Growth & Design |
Year of publication | 2013 |
Journal volume | 13 |
Journal issue | 1 |
Pages of publication | 111 |
a | 12.14 ± 0.003 Å |
b | 14.708 ± 0.003 Å |
c | 38.52 ± 0.004 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 6878 ± 2 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 4 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.0629 |
Residual factor for significantly intense reflections | 0.0372 |
Weighted residual factors for significantly intense reflections | 0.0699 |
Weighted residual factors for all reflections included in the refinement | 0.0752 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.886 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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The link is: https://www.crystallography.net/4507183.html
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