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Information card for entry 1504608
Preview
Coordinates | 1504608.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C16 H24 B2 P2 |
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Calculated formula | C16 H24 B2 P2 |
SMILES | [P]1(c2ccccc2)(CC[P](c2ccccc2)(CC1)[BH3])[BH3] |
Title of publication | Stereospecific construction of a trans-1,4-diphosphacyclohexane skeleton. |
Authors of publication | Morisaki, Yasuhiro; Imoto, Hiroaki; Ouchi, Yuko; Nagata, Yuuya; Chujo, Yoshiki |
Journal of publication | Organic letters |
Year of publication | 2008 |
Journal volume | 10 |
Journal issue | 7 |
Pages of publication | 1489 - 1492 |
a | 6.761 ± 0.003 Å |
b | 7.616 ± 0.004 Å |
c | 9.075 ± 0.006 Å |
α | 99.12 ± 0.03° |
β | 109.96 ± 0.03° |
γ | 100.07 ± 0.02° |
Cell volume | 420.3 ± 0.4 Å3 |
Cell temperature | 99 ± 2 K |
Ambient diffraction temperature | 99 ± 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 | 0.0487 |
Residual factor for significantly intense reflections | 0.0441 |
Weighted residual factors for significantly intense reflections | 0.1373 |
Weighted residual factors for all reflections included in the refinement | 0.1409 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.092 |
Diffraction radiation wavelength | 0.71075 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/1504608.html
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Users of the data should acknowledge the original authors of the
structural data.