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Information card for entry 4106358
Preview
Coordinates | 4106358.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C31 H28 Cl2 N4 O5 |
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Calculated formula | C31 H28 Cl2 N4 O5 |
SMILES | OC1(C(=Nc2c1cccc2)c1[nH]c2c(c1CCNC=O)ccc(OC)c2)CCN1C(=O)c2ccccc2C1=O.ClCCl |
Title of publication | Total Synthesis of (\±)-Trigonoliimine C via Oxidative Rearrangement of an Unsymmetrical Bis-Tryptamine |
Authors of publication | Xiangbing Qi; Hongli Bao; Uttam K. Tambar |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2011 |
Journal volume | 133 |
Pages of publication | 10050 - 10053 |
a | 9.934 ± 0.002 Å |
b | 10.977 ± 0.002 Å |
c | 14.781 ± 0.003 Å |
α | 101.908 ± 0.005° |
β | 92.052 ± 0.005° |
γ | 112.872 ± 0.005° |
Cell volume | 1441 ± 0.5 Å3 |
Cell temperature | 233 ± 2 K |
Ambient diffraction temperature | 233 ± 2 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 | 0.1969 |
Residual factor for significantly intense reflections | 0.0794 |
Weighted residual factors for significantly intense reflections | 0.1541 |
Weighted residual factors for all reflections included in the refinement | 0.193 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.013 |
Diffraction radiation wavelength | 0.71075 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/4106358.html
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