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Information card for entry 2209785
Preview
Coordinates | 2209785.cif |
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Structure factors | 2209785.hkl |
Original IUCr paper | HTML |
Common name | A cocrystal of clusiacitran A, clusiacitran B, (10-fluoro-9-hydroxy-1,5,5-trimethyl-6,15-dioxatetracyclo[9.3.10^4,13^.0^7,12^] pentadeca-7,9-11-trien-8,yl)phenyl-methanone and (10-fluoro-9-hydroxy-1,5,5-trimethyl-6,15-dioxatetracyclo[9.3.10^4,13^.0^7,12^] pentadeca-7,9-11-trien-10,yl)phenyl-methanone (0.45:0.45:0.05:0.05) |
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Chemical name | clusiacitran A‒clusiacitran B‒ (10-fluoro-9-hydroxy-1,5,5-trimethyl-6,15- dioxatetracyclo[9.3.10^4,13^.0^7,12^]pentadeca-7,9,11-trien-8- yl)(phenyl)methanone‒ (10-fluoro-9-hydroxy-1,5,5-trimethyl-6,15- dioxatetracyclo[9.3.10^4,13^.0^7,12^]pentadeca-7,9,11-trien-10- yl)(phenyl)methanone (0.45/0.45/0.05/0.05) |
Formula | C23 H23.9 F0.1 O4 |
Calculated formula | C23 H23.899 F0.101 O4 |
Title of publication | A cocrystal of clusiacitran A, clusiacitran B, fluorinated clusiacitran A and fluorinated clusiacitran B (0.45:0.45:0.05:0.05) |
Authors of publication | Hoong-Kun Fun; Sorwaporn Koysomboon; Kan Chantrapromma; Suchada Chantrapromma |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2006 |
Journal volume | 62 |
Journal issue | 8 |
Pages of publication | o3228 - o3230 |
a | 9.6691 ± 0.0002 Å |
b | 10.5583 ± 0.0002 Å |
c | 18.9279 ± 0.0003 Å |
α | 90° |
β | 103.16 ± 0.001° |
γ | 90° |
Cell volume | 1881.59 ± 0.06 Å3 |
Cell temperature | 100 ± 0.1 K |
Ambient diffraction temperature | 297 ± 2 K |
Number of distinct elements | 4 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.1016 |
Residual factor for significantly intense reflections | 0.0574 |
Weighted residual factors for significantly intense reflections | 0.1174 |
Weighted residual factors for all reflections included in the refinement | 0.1354 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.046 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | Yes |
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