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Information card for entry 4037719
Preview
Coordinates | 4037719.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C34 H36 N4 O8 |
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Calculated formula | C34 H36 N4 O8 |
SMILES | O1[C@H]([C@H](OC(=O)C)C[C@@H](O)[C@H]1C)[C@@]1(C(=O)C2=Cc3[nH]c(C=C4N=C(C=c5[nH]c(=CC1=N2)cc5C)C([C@@]4(OC(=O)C)C)=O)c(c3)C)C |
Title of publication | Tolyporphins L-R: Unusual Tetrapyrroles from a Brasilonema sp. of Cyanobacterium. |
Authors of publication | Gurr, Joshua R.; Dai, Jingqiu; Philbin, Casey S.; Sartain, Hope T.; O'Donnell, Timothy J; Yoshida, Wesley Y.; Rheingold, Arnold L.; Williams, Philip G. |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2019 |
a | 8.9116 ± 0.0003 Å |
b | 15.1687 ± 0.0005 Å |
c | 24.1124 ± 0.0008 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 3259.45 ± 0.19 Å3 |
Cell temperature | 100 K |
Ambient diffraction temperature | 100.15 K |
Number of distinct elements | 4 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.0596 |
Residual factor for significantly intense reflections | 0.0482 |
Weighted residual factors for significantly intense reflections | 0.1137 |
Weighted residual factors for all reflections included in the refinement | 0.1207 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.109 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
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/4037719.html
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structural data.