Formula |
C111 H131.5 Cl N5 O13.5 |

Calculated formula |
C111 H130 Cl N5 O13.5 |

Title of publication |
Anion-Templated Rotaxane Formation |

Authors of publication |
James A. Wisner; Paul D. Beer; Michael G. B. Drew; Mark R. Sambrook |

Journal of publication |
Journal of the American Chemical Society |

Year of publication |
2002 |

Journal volume |
124 |

Pages of publication |
12469 - 12476 |

a |
14.73 ± 0.02 Å |

b |
18.51 ± 0.02 Å |

c |
21.25 ± 0.03 Å |

α |
100.249 ± 0.01° |

β |
106.678 ± 0.01° |

γ |
101.871 ± 0.01° |

Cell volume |
5255 ± 12 Å^{3} |

Cell temperature |
293 ± 2 K |

Ambient diffraction temperature |
293 ± 2 K |

Number of distinct elements |
5 |

Hermann-Mauguin symmetry space group |
P -1 |

Hall symmetry space group |
-P 1 |

Residual factor for all reflections |
0.3247 |

Residual factor for observed reflections |
0.1133 |

Weighted residual factors for the observed reflections |
0.2856 |

Weighted residual factors for all reflections included in the refinement |
0.344 |

Goodness-of-fit parameter for observed reflections |
0.882 |

Diffraction radiation wavelength |
0.71073 Å |

Diffraction radiation type |
MoKα |

Has coordinates |
Yes |

Has disorder |
Yes |

Has F_{obs} |
No |