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Information card for entry 4503272
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Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 4503272.cif |
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Original paper (by DOI) | HTML |
Common name | 2.(CHCl3)2 |
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Chemical name | caffeine-succinic acid-chloroform 4/1/2 |
Formula | C38 H48 Cl6 N16 O12 |
Calculated formula | C38 H49 Cl6 N16 O12 |
Title of publication | Guest-Directed Assembly of Caffeine and Succinic Acid into Topologically Different Heteromolecular Host Networks upon Grinding |
Authors of publication | Friščić, Tomislav; Trask, Andrew V.; Motherwell, W. D. S.; Jones, W. |
Journal of publication | Crystal Growth & Design |
Year of publication | 2008 |
Journal volume | 8 |
Journal issue | 5 |
Pages of publication | 1605 |
a | 6.6439 ± 0.0001 Å |
b | 23.2514 ± 0.0004 Å |
c | 33.5615 ± 0.0007 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 5184.58 ± 0.16 Å3 |
Cell temperature | 240 ± 2 K |
Ambient diffraction temperature | 240 ± 2 K |
Number of distinct elements | 5 |
Space group number | 64 |
Hermann-Mauguin space group symbol | C m c a |
Hall space group symbol | -C 2ac 2 |
Residual factor for all reflections | 0.134 |
Residual factor for significantly intense reflections | 0.089 |
Weighted residual factors for significantly intense reflections | 0.2459 |
Weighted residual factors for all reflections included in the refinement | 0.2849 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.033 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4503272.html
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