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Information card for entry 1543564
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Coordinates | 1543564.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | BAP_SH_4_2 |
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Formula | C16 H16 Cl4 N5 O4 P3 |
Calculated formula | C16 H16 Cl4 N5 O4 P3 |
SMILES | P1(=NP(=NP(=N1)(Cl)Cl)(Cl)Cl)(Nc1ccc2OCCOc2c1)Nc1ccc2OCCOc2c1 |
Title of publication | Investigation of nucleophilic substitution pathway for the reactions of 1,4-benzodioxan-6-amine with chlorocyclophosphazenes |
Authors of publication | Hanife Ibisoglu; Serap Besli; Fatma Yuksel; Ilker Un; Adem Kilic |
Journal of publication | Inorganica Chimica Acta |
Year of publication | 2014 |
Pages of publication | 216 - 226 |
a | 11.591 ± 0.0002 Å |
b | 12.3401 ± 0.0002 Å |
c | 17.852 ± 0.0004 Å |
α | 72.719 ± 0.001° |
β | 77.686 ± 0.001° |
γ | 72.764 ± 0.001° |
Cell volume | 2306.62 ± 0.08 Å3 |
Cell temperature | 120 ± 2 K |
Ambient diffraction temperature | 120 ± 2 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0386 |
Residual factor for significantly intense reflections | 0.033 |
Weighted residual factors for significantly intense reflections | 0.0834 |
Weighted residual factors for all reflections included in the refinement | 0.0868 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.048 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/1543564.html
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Users of the data should acknowledge the original authors of the
structural data.