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Information card for entry 7218182
Preview
Coordinates | 7218182.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | 5:morpholine 1/1 solvate |
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Formula | C32 H41 F4 I2 N7 O5 |
Calculated formula | C32 H41 F4 I2 N7 O5 |
SMILES | Ic1c(c(c(N=Nc2c(c(c(I)c(c2N2CCOCC2)F)F)N2CCOCC2)c(c1F)N1CCOCC1)N1CCOCC1)F.O1CCNCC1 |
Title of publication | Fluorinated azobenzenes with highly strained geometries for halogen bond-driven self-assembly in the solid state |
Authors of publication | Bushuyev, Oleksandr S.; Tan, Davin; Barrett, Christopher J.; Friščić, Tomislav |
Journal of publication | CrystEngComm |
Year of publication | 2015 |
Journal volume | 17 |
Journal issue | 1 |
Pages of publication | 73 |
a | 19.6801 ± 0.0013 Å |
b | 17.4108 ± 0.0011 Å |
c | 10.6952 ± 0.0007 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 3664.7 ± 0.4 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 6 |
Space group number | 33 |
Hermann-Mauguin space group symbol | P n a 21 |
Hall space group symbol | P 2c -2n |
Residual factor for all reflections | 0.0541 |
Residual factor for significantly intense reflections | 0.0386 |
Weighted residual factors for significantly intense reflections | 0.069 |
Weighted residual factors for all reflections included in the refinement | 0.0739 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.029 |
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/7218182.html
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