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Information card for entry 8102588
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Coordinates | 8102588.cif |
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Formula | C41 H41 Cl2 N3 O2 S2 |
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Calculated formula | C41 H41 Cl2 N3 O2 S2 |
Title of publication | Crystal structure of spiro-[2.3'']oxindole-spiro[3.3']-5'-(4-methylsulfanylphenylmethylidene)-1'-benzyl-4'(1H)-pyridinone-4-(4-methylsulfanylphenyl)hexahydro-1H-pyrrolizine — dichloromethane, C40H39N3O2S2 · CH2Cl2 |
Authors of publication | Xun Li; Aiting Zheng |
Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
Year of publication | 2009 |
Journal volume | 224 |
Journal issue | 4 |
Pages of publication | 702 |
a | 9.1853 ± 0.0009 Å |
b | 12.8463 ± 0.0012 Å |
c | 17.5594 ± 0.0016 Å |
α | 70.299 ± 0.009° |
β | 77.356 ± 0.01° |
γ | 71.996 ± 0.009° |
Cell volume | 1839.9 ± 0.3 Å3 |
Cell temperature | 113 ± 2 K |
Ambient diffraction temperature | 113 ± 2 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0748 |
Residual factor for significantly intense reflections | 0.0438 |
Weighted residual factors for significantly intense reflections | 0.0873 |
Weighted residual factors for all reflections included in the refinement | 0.0974 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.953 |
Diffraction radiation wavelength | 0.7107 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
211175 (current) | 2018-09-26 | cif/ Removing _chemical_name_systematic and _chemical_name_common data items with placeholder values from 513 entries in range 8. |
8102588.cif |
176728 | 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 8. |
8102588.cif |
35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
8102588.cif |
13327 | 2011-03-06 | ../uploads/cif-deposit/cod/cif Adding structures of 8102588 via cif-deposit CGI script. |
8102588.cif |
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Users of the data should acknowledge the original authors of the
structural data.