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Information card for entry 2209404
Preview
Coordinates | 2209404.cif |
---|---|
Structure factors | 2209404.hkl |
Original IUCr paper | HTML |
Chemical name | 11,18-Diphenoxy-3,26-dioxa-13,16- diazahexacyclo[26.2.2.0^4,9^.0^10,13^.0^16,19^.0^20,25^]dotriaconta- 1(31),4,6,8,20,22,24,28(32),29-nonaene-12,17-dione |
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Formula | C40 H34 N2 O6 |
Calculated formula | C40 H34 N2 O6 |
SMILES | c1(ccccc1)O[C@@H]1C(=O)N2[C@@H]1c1c(cccc1)OCc1cccc(COc3c([C@H]4[C@H](C(=O)N4CC2)Oc2ccccc2)cccc3)c1 |
Title of publication | 11,18-Diphenoxy-3,26-dioxa-13,16-diazahexacyclo[26.2.2.0^4,9^.0^10,13^.0^16,19^.0^20,25^]dotriaconta-1(31),4,6,8,20,22,24,28(32),29-nonaene-12,17-dione |
Authors of publication | D. Gayathri; D. Latha; D. Velmurugan; K. Ravikumar; M. Arumugam |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2006 |
Journal volume | 62 |
Journal issue | 7 |
Pages of publication | o3082 - o3084 |
a | 8.3548 ± 0.0006 Å |
b | 18.154 ± 0.0013 Å |
c | 22.0663 ± 0.0016 Å |
α | 90° |
β | 90.528 ± 0.001° |
γ | 90° |
Cell volume | 3346.7 ± 0.4 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 4 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0522 |
Residual factor for significantly intense reflections | 0.0411 |
Weighted residual factors for significantly intense reflections | 0.0967 |
Weighted residual factors for all reflections included in the refinement | 0.1034 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.034 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
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/2209404.html
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