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Information card for entry 1555863
Preview
Coordinates | 1555863.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C130 H115 N10 O5 |
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Calculated formula | C130 H115 N10 O5 |
SMILES | O(c1c2c3ccc([nH]3)C(=c3nc(c4c(OC)c(c5[nH]c(cc5)C(c5c(C)cc(cc5C)C)=c5nc(c6c(OC)c(cc(C)c6)c6[nH]c(C(=c7nc(c8c(OC)c(cc(C)c8)c8ccc([nH]8)C(=c8nc(cc8)c8c(OC)c(c9[nH]c(cc9)C(=c9ccc(c1cc(c2)C)n9)c1c(cc(C)cc1C)C)cc(C)c8)c1c(C)cc(C)cc1C)cc7)c1c(cc(cc1C)C)C)cc6)cc5)cc(C)c4)cc3)c1c(C)cc(C)cc1C)C |
Title of publication | m-Phenylene-Linked Dipyrrins and Their Boron-Difluoride Complexes as Variously Shaped Macrocyclic Oligomers. |
Authors of publication | Uchida, Junji; Nakamura, Takashi; Yamamura, Masaki; Yamaguchi, Gento; Nabeshima, Tatsuya |
Journal of publication | Organic letters |
Year of publication | 2016 |
Journal volume | 18 |
Journal issue | 20 |
Pages of publication | 5380 - 5383 |
a | 14.8093 ± 0.0017 Å |
b | 20.899 ± 0.002 Å |
c | 23.578 ± 0.003 Å |
α | 85.057 ± 0.001° |
β | 76.172 ± 0.002° |
γ | 73.381 ± 0.002° |
Cell volume | 6788.6 ± 1.3 Å3 |
Cell temperature | 120 K |
Ambient diffraction temperature | 120 ± 2 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1341 |
Residual factor for significantly intense reflections | 0.0771 |
Weighted residual factors for significantly intense reflections | 0.1755 |
Weighted residual factors for all reflections included in the refinement | 0.1928 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.003 |
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/1555863.html
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Users of the data should acknowledge the original authors of the
structural data.