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 |

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 Å^{3} |

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 F_{obs} |
No |