Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4103873
Preview
Coordinates | 4103873.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C78 H82 B3 N7 O16 |
---|---|
Calculated formula | C78 H82 B3 N7 O16 |
SMILES | c12c3c(cc4c1cccc4)O[B]1(Oc4cc5c(c(c6c7ccccc7cc7c6O[B]6(Oc8c(c9c%10ccccc%10cc%10c9O[B]9(Oc%11c2c2ccccc2cc%11O9)O%10)c2ccccc2cc8O6)O7)c4O1)cccc5)O3.CN(C=O)C.C[NH2+]C.CN(C=O)C.CN(C=O)C.CN(C)C=O.[NH2+](C)C.[NH2+](C)C |
Title of publication | Back to Back Twin Bowls of D3-Symmetric Tris(spiroborate)s for Supramolecular Chain Structures |
Authors of publication | Hiroshi Danjo; Kadzuya Hirata; Seiki Yoshigai; Isao Azumaya; Kentaro Yamaguchi |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2009 |
Journal volume | 131 |
Pages of publication | 1638 - 1639 |
a | 10.88 ± 0.003 Å |
b | 17.907 ± 0.004 Å |
c | 19.794 ± 0.005 Å |
α | 84.234 ± 0.002° |
β | 79.86 ± 0.003° |
γ | 73.623 ± 0.003° |
Cell volume | 3636.9 ± 1.6 Å3 |
Cell temperature | 120 K |
Ambient diffraction temperature | 120 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1371 |
Residual factor for significantly intense reflections | 0.111 |
Weighted residual factors for significantly intense reflections | 0.3551 |
Weighted residual factors for all reflections included in the refinement | 0.3826 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.534 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4103873.html
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.