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CIF Information Card
Information card for 7101607
7101606 << 7101607 >> 7101608Preview
|
Coordinates |
7101607.cif |
Structure parameters
| Formula | - C24 H24 Cl2 N2 O5 - |
| Calculated formula | - C24 H24 Cl2 N2 O5 - |
| Title of publication | Sequential One-Pot Bimetallic Ir(III) / Pd(0) Catalysed Mono- / Bis-Alkylation and Spirocyclisation Processes of 1,3-Dimethylbarbituric Acid and Allenes |
| Authors of publication | R.E.Grigg; V.Sridharana; A.M.Derrick; A.Keep; C.Kilner; Christian Lofberg |
| Journal of publication | Chemical Communications |
| Year of publication | 2006 |
| Journal issue | 48 |
| Pages of publication | ? |
| a | 16.6087 ± 0.0002 Å |
| b | 8.6239 ± 0.0001 Å |
| c | 19.4116 ± 0.0002 Å |
| α | 90° |
| β | 123.823 ± 0.001° |
| γ | 90° |
| Cell volume | 2309.81 ± 0.05 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 5 |
| Hermann-Mauguin symmetry space group | P 1 21/c 1 |
| Hall symmetry space group | -P 2ybc |
| Residual factor for all reflections | 0.0564 |
| Residual factor for observed reflections | 0.0511 |
| Weighted residual factors for the observed reflections | 0.1473 |
| Weighted residual factors for all reflections included in the refinement | 0.153 |
| Goodness-of-fit parameter for observed reflections | 1.038 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |