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Information card for entry 1501946
Preview
| Coordinates | 1501946.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C57 H54 N O6 P |
|---|---|
| Calculated formula | C57 H54 N O6 P |
| SMILES | P(=O)(OCC)(OCC)N1c2c(cc(C(=C=C(c3ccccc3)c3ccccc3)c3ccccc3)c(OC)c2)C(=CC1(c1ccccc1)c1ccccc1)c1ccccc1.O=C(OCC)C |
| Title of publication | Preparation of allenephosphoramide and its utility in the preparation of 4,9-dihydro-2h-benzo[f]isoindoles. |
| Authors of publication | Yin, Guangwei; Zhu, Yuanxun; Zhang, Li; Lu, Ping; Wang, Yanguang |
| Journal of publication | Organic letters |
| Year of publication | 2011 |
| Journal volume | 13 |
| Journal issue | 5 |
| Pages of publication | 940 - 943 |
| a | 18.5397 ± 0.0008 Å |
| b | 15.0248 ± 0.0006 Å |
| c | 17.6084 ± 0.0008 Å |
| α | 90° |
| β | 103.518 ± 0.005° |
| γ | 90° |
| Cell volume | 4769 ± 0.4 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 9 |
| Hermann-Mauguin space group symbol | C 1 c 1 |
| Hall space group symbol | C -2yc |
| Residual factor for all reflections | 0.0756 |
| Residual factor for significantly intense reflections | 0.0449 |
| Weighted residual factors for significantly intense reflections | 0.0988 |
| Weighted residual factors for all reflections included in the refinement | 0.1062 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.898 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 198632 (current) | 2017-07-11 | cod/ (melanie@ameba.ibt.lt) Correcting the '_exptl_absorpt_correction_type' data item 'multi-scan' enumeration values with the help of the cif_fix_values script from the cod-tools package revision 5455. The following command was used : cif_fix_values --fix-misspelled src/cod-tools/trunk/data/replacement-values/replacement_values.lst $i | cif_filter --no-exclude-publication-details -h $i | sponge $i A total of 524 files were changed. |
1501946.cif |
| 176729 | 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. |
1501946.cif |
| 91932 | 2013-12-28 | cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs. |
1501946.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
1501946.cif |
| 35284 | 2012-02-26 | ../uploads/cif-deposit/cod/cif Adding structures of 1501946 via cif-deposit CGI script. |
1501946.cif |
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Users of the data should acknowledge the original authors of the
structural data.