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Information card for entry 1501944
Preview
| Coordinates | 1501944.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C32 H32 N O3 P |
|---|---|
| Calculated formula | C32 H32 N O3 P |
| SMILES | P(=O)(OCC)(OCC)N(c1ccc(C)cc1)C(=C=C(c1ccccc1)c1ccccc1)c1ccccc1 |
| 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 | 42.662 ± 0.005 Å |
| b | 9.5733 ± 0.0006 Å |
| c | 33.755 ± 0.004 Å |
| α | 90° |
| β | 125.507 ± 0.017° |
| γ | 90° |
| Cell volume | 11222 ± 3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.1245 |
| Residual factor for significantly intense reflections | 0.0469 |
| Weighted residual factors for significantly intense reflections | 0.0965 |
| Weighted residual factors for all reflections included in the refinement | 0.1064 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.842 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 210335 (current) | 2018-09-02 | cif/1/ Updating bibliography in entries 1501944, 1513316, 1516230. Marking entries 1513316, 1516230 as a duplicate of entry 1501944. |
1501944.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. |
1501944.cif |
| 91932 | 2013-12-28 | cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs. |
1501944.cif |
| 85727 | 2013-05-07 | cif/1 Fixing minor details (mostly wrong formula and Z value) in CIFs of subdir 1, detected when building SMILES. |
1501944.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
1501944.cif |
| 35282 | 2012-02-26 | ../uploads/cif-deposit/cod/cif Adding structures of 1501944 via cif-deposit CGI script. |
1501944.cif |
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