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Information card for entry 7150722
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Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 7150722.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | Compound 4d |
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Formula | C25 H28 N2 O6 |
Calculated formula | C25 H28 N2 O6 |
SMILES | O=C1OC(C)(C)[C@@H](N1C(=O)[C@@H](C)[C@H](O)[C@H]1C[C@@H]1c1ccccc1N(=O)=O)Cc1ccccc1 |
Title of publication | A temporary stereocentre approach for the asymmetric synthesis of chiral cyclopropane-carboxaldehydes |
Authors of publication | Cheeseman, Matt; Davies, Iwan R.; Axe, Phil; Johnson, Andrew L.; Bull, Steven D. |
Journal of publication | Organic & Biomolecular Chemistry |
Year of publication | 2009 |
Journal volume | 7 |
Journal issue | 17 |
Pages of publication | 3537 - 3548 |
a | 7.67 ± 0.0001 Å |
b | 14.837 ± 0.0003 Å |
c | 20.519 ± 0.0003 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2335.06 ± 0.07 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 4 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.0589 |
Residual factor for significantly intense reflections | 0.0406 |
Weighted residual factors for significantly intense reflections | 0.0918 |
Weighted residual factors for all reflections included in the refinement | 0.0998 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.027 |
Diffraction radiation wavelength | 0.71073 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/7150722.html
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Users of the data should acknowledge the original authors of the
structural data.