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Information card for entry 1506315
Preview
| Coordinates | 1506315.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider |
| Common name | Hydrazine Derivative |
|---|---|
| Chemical name | (E)-N-phthalyl-2-(3-chlorophenyl)-2-phenylcyclobutylidene hydrazine |
| Formula | C24 H17 Cl N2 O2 |
| Calculated formula | C24 H17 Cl N2 O2 |
| SMILES | Clc1cccc(C2(C(=NN3C(=O)c4ccccc4C3=O)CC2)c2ccccc2)c1 |
| Title of publication | Nitrene equivalent mediated metal-free ring expansions of alkylidenecyclopropanes and an alkylidenecyclobutane. |
| Authors of publication | Liang, Yong; Jiao, Lei; Wang, Yuanyuan; Chen, Yuanyuan; Ma, Linge; Xu, Jiaxi; Zhang, Shiwei; Yu, Zhi-Xiang |
| Journal of publication | Organic letters |
| Year of publication | 2006 |
| Journal volume | 8 |
| Journal issue | 25 |
| Pages of publication | 5877 - 5879 |
| a | 8.7336 ± 0.0017 Å |
| b | 7.8955 ± 0.0016 Å |
| c | 14.484 ± 0.003 Å |
| α | 90° |
| β | 95.04 ± 0.03° |
| γ | 90° |
| Cell volume | 994.9 ± 0.4 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Ambient diffracton pressure | 101 kPa |
| Number of distinct elements | 5 |
| Space group number | 7 |
| Hermann-Mauguin space group symbol | P 1 c 1 |
| Hall space group symbol | P -2yc |
| Residual factor for all reflections | 0.05 |
| Residual factor for significantly intense reflections | 0.0393 |
| Weighted residual factors for significantly intense reflections | 0.0914 |
| Weighted residual factors for all reflections included in the refinement | 0.0947 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.045 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 201954 (current) | 2017-10-13 | cif/ Marking COD entries in range 1 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
1506315.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. |
1506315.cif |
| 120071 | 2014-07-11 | Adding DOIs to range 1 structures. | 1506315.cif |
| 48183 | 2012-03-26 | ../uploads/cif-deposit/cod/cif Adding structures of 1506315 via cif-deposit CGI script. |
1506315.cif |
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