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Information card for entry 7016330
Preview
Coordinates | 7016330.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C16 H36 B11 Cl3 N O Sb |
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Calculated formula | C16 H36 B11 Cl3 N O Sb |
SMILES | [Sb]12(Cl)[O](C(C)(C)C)Cc3c1c(ccc3)C[N]2(C)C.ClCCl.[CH]1234[BH]567[BH]891[BH]1%10%11[BH]%12%13%14[BH]%152([BH]236[BH]365[BH]1%12([BH]79%113)[BH]%14%1526)[BH]48%10%13 |
Title of publication | OCO and NCO chelated derivatives of heavier group 15 elements. Study on possibility of cyclization reaction via intramolecular ether bond cleavage. |
Authors of publication | Dostál, Libor; Jambor, Roman; Růžička, Aleš; Jirásko, Robert; Holeček, Jaroslav; De Proft, Frank |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2011 |
Journal volume | 40 |
Journal issue | 35 |
Pages of publication | 8922 - 8934 |
a | 9.587 ± 0.0003 Å |
b | 12.0591 ± 0.0006 Å |
c | 13.2669 ± 0.0006 Å |
α | 65.008 ± 0.005° |
β | 88.935 ± 0.004° |
γ | 84.972 ± 0.003° |
Cell volume | 1384.54 ± 0.12 Å3 |
Cell temperature | 150 ± 1 K |
Ambient diffraction temperature | 150 ± 1 K |
Number of distinct elements | 7 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0277 |
Residual factor for significantly intense reflections | 0.0233 |
Weighted residual factors for significantly intense reflections | 0.0588 |
Weighted residual factors for all reflections included in the refinement | 0.0622 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.084 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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Users of the data should acknowledge the original authors of the
structural data.