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Information card for entry 1546708
Preview
Coordinates | 1546708.cif |
---|---|
Structure factors | 1546708.hkl |
Original IUCr paper | HTML |
Chemical name | 1-[(1-{[(1<i>S</i>,2<i>R</i>,6<i>R</i>,8<i>R</i>,9<i>S</i>)-4,4,11,11-Tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.0^2,6^]dodecan-8-yl]methyl}-1<i>H</i>-1,2,3-triazol-4-yl)methyl]-2,3-dihydro-1<i>H</i>-indole-2,3-dione |
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Formula | C23 H26 N4 O7 |
Calculated formula | C23 H26 N4 O7 |
SMILES | O=C1c2c(N(C1=O)Cc1nnn(c1)C[C@H]1O[C@@H]3OC(O[C@@H]3[C@H]3OC(O[C@@H]13)(C)C)(C)C)cccc2 |
Title of publication | 1-[(1-{[(1<i>S</i>,2<i>R</i>,6<i>R</i>,8<i>R</i>,9<i>S</i>)-4,4,11,11-Tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.0^2,6^]dodecan-8-yl]methyl}-1<i>H</i>-1,2,3-triazol-4-yl)methyl]-2,3-dihydro-1<i>H</i>-indole-2,3-dione |
Authors of publication | Qachchachi, Fatima-Zahrae; Mague, Joel T.; Kandri Rodi, Youssef; Haoudi, Amal; Ben-Tama, Abdeslem; Essassi, El Mokhtar |
Journal of publication | IUCrData |
Year of publication | 2017 |
Journal volume | 2 |
Journal issue | 5 |
Pages of publication | x170670 |
a | 25.6622 ± 0.0008 Å |
b | 8.7731 ± 0.0003 Å |
c | 10.3928 ± 0.0003 Å |
α | 90° |
β | 101.847 ± 0.001° |
γ | 90° |
Cell volume | 2289.96 ± 0.13 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 4 |
Space group number | 5 |
Hermann-Mauguin space group symbol | C 1 2 1 |
Hall space group symbol | C 2y |
Residual factor for all reflections | 0.0257 |
Residual factor for significantly intense reflections | 0.0249 |
Weighted residual factors for significantly intense reflections | 0.0634 |
Weighted residual factors for all reflections included in the refinement | 0.0641 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.024 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | Yes |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/1546708.html
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