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Information card for entry 4103596
Preview
Coordinates | 4103596.cif |
---|---|
Original paper (by DOI) | HTML |
External links | ChemSpider |
Formula | C20 H20 O2 |
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Calculated formula | C20 H20 O2 |
SMILES | C1C(=C(C=C1c1cc2ccccc2cc1)CCC)C(=O)OC |
Title of publication | Highly Enantioselective Rh2(S-DOSP)4- Catalyzed Cyclopropenation of Alkynes with Styryldiazoacetates |
Authors of publication | John F. Briones; Jørn Hansen; Kenneth I. Hardcastle; Jochen Autschbach; Huw M. L. Davies |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2010 |
Journal volume | 132 |
Pages of publication | 17211 - 17215 |
a | 8.4047 ± 0.0004 Å |
b | 5.5397 ± 0.0003 Å |
c | 17.0558 ± 0.0007 Å |
α | 90° |
β | 91.048 ± 0.003° |
γ | 90° |
Cell volume | 793.98 ± 0.07 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 3 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.043 |
Residual factor for significantly intense reflections | 0.0338 |
Weighted residual factors for significantly intense reflections | 0.091 |
Weighted residual factors for all reflections included in the refinement | 0.1016 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.027 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
201982 (current) | 2017-10-13 | cif/ Marking COD entries in range 4 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
4103596.cif |
178781 | 2016-03-21 | cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/35. |
4103596.cif |
120076 | 2014-07-11 | Adding DOIs to range 4/10 structures. | 4103596.cif |
34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4103596.cif |
26629 | 2011-09-24 | ../uploads/cif-deposit/cod/cif Adding structures of 4103596 via cif-deposit CGI script. |
4103596.cif |
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Users of the data should acknowledge the original authors of the
structural data.