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Information card for entry 4028895
Preview
| Coordinates | 4028895.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | 2-Naphthalen-1-yl-3-nitro-cyclopropane-1,1-dicarboxylic acid dimethyl ester |
|---|---|
| Formula | C22.67 H20 N1.33 O8 |
| Calculated formula | C22.6667 H20 N1.33333 O8 |
| Title of publication | Stereoselective Synthesis of Highly Functionalized Nitrocyclopropanes via Organocatalyic Conjugate Addition to Nitroalkenes |
| Authors of publication | McCooey, Séamus H.; McCabe, Thomas; Connon, Stephen J. |
| Journal of publication | The Journal of Organic Chemistry |
| Year of publication | 2006 |
| Journal volume | 71 |
| Journal issue | 19 |
| Pages of publication | 7494 - 7497 |
| a | 12.609 ± 0.002 Å |
| b | 14.633 ± 0.002 Å |
| c | 8.6593 ± 0.0014 Å |
| α | 90° |
| β | 104.353 ± 0.003° |
| γ | 90° |
| Cell volume | 1547.8 ± 0.4 Å3 |
| Cell temperature | 571 ± 2 K |
| Ambient diffraction temperature | 571 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0489 |
| Residual factor for significantly intense reflections | 0.0424 |
| Weighted residual factors for significantly intense reflections | 0.1147 |
| Weighted residual factors for all reflections included in the refinement | 0.1203 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.063 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Duplicate of | 4021969 |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 287519 (current) | 2023-11-10 | cod/ (saulius@tasmanijos-velnias) Marking up COD duplicates based on automatic matching in: Path: outputs/cod-new-duplicates-expanded.tsv Name: cod-new-duplicates-expanded.tsv Working Copy Root Path: /home/saulius/struct/COD-crude-data URL: svn+ssh://www.crystallography.net/home/coder/svn-repositories/COD-crude-data/archives/2021/COD/outputs/cod-new-duplicates-expanded.tsv Relative URL: ^/archives/2021/COD/outputs/cod-new-duplicates-expanded.tsv Repository Root: svn+ssh://www.crystallography.net/home/coder/svn-repositories/COD-crude-data Repository UUID: f03e6fd5-de02-4a89-aa47-d94ad8425ebd Revision: 7431 Node Kind: file Schedule: normal Last Changed Author: saulius Last Changed Rev: 7431 Last Changed Date: 2023-11-10 16:55:42 +0200 (Fri, 10 Nov 2023) Text Last Updated: 2023-11-10 16:31:20 +0200 (Fri, 10 Nov 2023) Checksum: 0c965281867bf38581b3e32df20963a23950bd46 |
4028895.cif |
| 178467 | 2016-03-21 | cif/4/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/02/88. |
4028895.cif |
| 99111 | 2014-01-30 | cif/ Adding structures of 4028895 via cif-deposit CGI script. |
4028895.cif |
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