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Information card for entry 7031506
Preview
Coordinates | 7031506.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | (RSSR)-1,11-dibenzyl-3,9,13,19-tetramesityl-1,11-diaza-3,9,13,19-tetraphosphacycloeicosane |
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Formula | C64 H86 N2 P4 |
Calculated formula | C64 H86 N2 P4 |
SMILES | C1N(Cc2ccccc2)CP(CCCCCP(CN(CP(CCCCCP1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)Cc1ccccc1)c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C |
Title of publication | Alternating stereoselective self-assembly of SSSS/RRRR or RSSR isomers of tetrakisphosphines in the row of 14-, 16-, 18- and 20-membered macrocycles. |
Authors of publication | Naumov, Roman N.; Musina, Elvira I.; Kanunnikov, Kirill B.; Fesenko, Tatiana I.; Krivolapov, Dmitry B.; Litvinov, Igor A.; Lönnecke, Peter; Hey-Hawkins, Evamarie; Karasik, Andrey A.; Sinyashin, Oleg G. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2014 |
Journal volume | 43 |
Journal issue | 33 |
Pages of publication | 12784 - 12789 |
a | 8.978 ± 0.007 Å |
b | 11.999 ± 0.009 Å |
c | 15.378 ± 0.011 Å |
α | 77.012 ± 0.008° |
β | 86.156 ± 0.009° |
γ | 70.547 ± 0.008° |
Cell volume | 1522 ± 2 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.137 |
Residual factor for significantly intense reflections | 0.0778 |
Weighted residual factors for significantly intense reflections | 0.2112 |
Weighted residual factors for all reflections included in the refinement | 0.2573 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.009 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 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/7031506.html
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