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Information card for entry 1515756
Preview
Coordinates | 1515756.cif |
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Original paper (by DOI) | HTML |
Formula | C13 H14 B O P |
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Calculated formula | C13 H14 B O P |
SMILES | [P]1(OCc2c1cccc2)(c1ccccc1)[BH3] |
Title of publication | Efficient Asymmetric Syntheses of 1-Phenyl-phosphindane, Derivatives, and 2- or 3-Oxa Analogues: Mission Accomplished. |
Authors of publication | Rast, Slavko; Mohar, Barbara; Stephan, Michel |
Journal of publication | Organic letters |
Year of publication | 2014 |
Journal volume | 16 |
Journal issue | 10 |
Pages of publication | 2688 - 2691 |
a | 11.8787 ± 0.0002 Å |
b | 8.9358 ± 0.0002 Å |
c | 12.7533 ± 0.0003 Å |
α | 90° |
β | 108.685 ± 0.002° |
γ | 90° |
Cell volume | 1282.36 ± 0.05 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 5 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.0491 |
Residual factor for significantly intense reflections | 0.0459 |
Weighted residual factors for significantly intense reflections | 0.1324 |
Weighted residual factors for all reflections included in the refinement | 0.1376 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.041 |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
176729 (current) | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1515756.cif |
115909 | 2014-06-05 | cif/ Updating files of 1515755, 1515756 Original log message: Adding full bibliography for 1515755--1515756.cif. |
1515756.cif |
112046 | 2014-04-29 | cif/ Adding structures of 1515755, 1515756 via cif-deposit CGI script. |
1515756.cif |
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Users of the data should acknowledge the original authors of the
structural data.