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Information card for entry 4023026
Preview
Coordinates | 4023026.cif |
---|---|
Original paper (by DOI) | HTML |
External links | ChemSpider |
Formula | C H Cl N O |
---|---|
Calculated formula | C3.47826 H3.13043 Cl0.173913 N0.173913 O0.347826 |
SMILES | Clc1ccc(C=CC=C2C(=Nc3c(OC)cccc3)OCC2)cc1 |
Title of publication | A Divergent Synthesis of γ-Iminolactones, Dihydroquinolin-2-ones, and γ-Lactames from β-Hydroxymethylcyclopropanylamides |
Authors of publication | Tao Xiong; Qian Zhang; Zhiguo Zhang; Qun Liu |
Journal of publication | Journal of Organic Chemistry |
Year of publication | 2007 |
Journal volume | 72 |
Pages of publication | 8005 - 8009 |
a | 7.3223 ± 0.0019 Å |
b | 16.257 ± 0.004 Å |
c | 15.537 ± 0.004 Å |
α | 90° |
β | 101.432 ± 0.004° |
γ | 90° |
Cell volume | 1812.8 ± 0.8 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 5 |
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 | 0.0887 |
Residual factor for significantly intense reflections | 0.0424 |
Weighted residual factors for significantly intense reflections | 0.1069 |
Weighted residual factors for all reflections included in the refinement | 0.1364 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.694 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
201982 (current) | 2017-10-13 | cif/ Marking COD entries in range 4 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
4023026.cif |
178409 | 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 4/02/30. |
4023026.cif |
120074 | 2014-07-11 | Adding DOIs to range 4/02 structures. | 4023026.cif |
34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4023026.cif |
966 | 2010-01-30 | cif/ Adding _cod_database_code tags to all COD entries. Adding tag description to the cif_cod.dic dictionary so that COD entries can be validated. |
4023026.cif |
430 | 2008-07-18 | Adding CIFs from the J-Org-Chem-2002-2003-2007/ deposition. |
4023026.cif |
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Users of the data should acknowledge the original authors of the
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