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Information card for entry 7005299
Preview
Coordinates | 7005299.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C13 H32 Cl4 N10 O4 P6 |
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Calculated formula | C13 H32 Cl4 N10 O4 P6 |
SMILES | CN(C)[P@@]1(=N[P@](=NP2(=N1)OCC1(CO2)COP2(=N[P@](=N[P@@](=N2)(N(C)C)Cl)(N(C)C)Cl)OC1)(N(C)C)Cl)Cl |
Title of publication | Stereogenic properties of spiranes combined with four equivalent conventional centres of chirality. |
Authors of publication | Coles, Simon J.; Davies, David B.; Eaton, Robert J.; Hursthouse, Michael B.; Kiliç, Adem; Shaw, Robert A.; Uslu, Aylin |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2007 |
Journal issue | 20 |
Pages of publication | 2040 - 2047 |
a | 10.376 ± 0.005 Å |
b | 15.323 ± 0.008 Å |
c | 20.706 ± 0.01 Å |
α | 108.439 ± 0.009° |
β | 97.965 ± 0.01° |
γ | 90.189 ± 0.009° |
Cell volume | 3089 ± 3 Å3 |
Cell temperature | 120 ± 2 K |
Ambient diffraction temperature | 120 ± 2 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.145 |
Residual factor for significantly intense reflections | 0.0919 |
Weighted residual factors for significantly intense reflections | 0.2287 |
Weighted residual factors for all reflections included in the refinement | 0.2697 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.031 |
Diffraction radiation wavelength | 0.6903 Å |
Diffraction radiation type | synchrotron |
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/7005299.html
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Users of the data should acknowledge the original authors of the
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