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Information card for entry 4087957
Preview
Coordinates | 4087957.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C32.5 H17 B F15 N O |
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Calculated formula | C32.5 H17 B F15 N O |
Title of publication | Pathways to Functionalized Heterocycles: Propargyl Rearrangement using B(C6F5)3 |
Authors of publication | Wilkins, Lewis C.; Wieneke, Philipp; Newman, Paul D.; Kariuki, Benson M.; Rominger, Frank; Hashmi, A. Stephen K.; Hansmann, Max M.; Melen, Rebecca L. |
Journal of publication | Organometallics |
Year of publication | 2015 |
Journal volume | 34 |
Journal issue | 21 |
Pages of publication | 5298 |
a | 9.7542 ± 0.0003 Å |
b | 12.6233 ± 0.0004 Å |
c | 13.571 ± 0.0005 Å |
α | 69.527 ± 0.003° |
β | 78.068 ± 0.003° |
γ | 85.081 ± 0.003° |
Cell volume | 1531.47 ± 0.09 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 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 | 0.0377 |
Residual factor for significantly intense reflections | 0.0358 |
Weighted residual factors for significantly intense reflections | 0.0899 |
Weighted residual factors for all reflections included in the refinement | 0.0913 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.965 |
Diffraction radiation wavelength | 1.5418 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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The link is: https://www.crystallography.net/4087957.html
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