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Information card for entry 7203441
Preview
Coordinates | 7203441.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | (E)-N,N-dimethyl-9-(naphthalen-1-yl)-5-(naphthalen-2-ylmethylene) -2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-xanthen-4a-amine hydrochloride salt |
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Formula | C36 H38 Cl N O |
Calculated formula | C36 H38 Cl N O |
SMILES | [Cl-].O1[C@]2([NH+](C)C)[C@H]([C@@H](C3=C1/C(=C/c1c4ccccc4ccc1)CCC3)c1c3ccccc3ccc1)CCCC2.[Cl-].O1[C@@]2([NH+](C)C)[C@@H]([C@H](C3=C1/C(=C/c1c4ccccc4ccc1)CCC3)c1c3ccccc3ccc1)CCCC2 |
Title of publication | A direct, efficient synthesis of unsymmetrically substituted bis(arylidene)alkanones |
Authors of publication | Rosamilia, Anthony E.; Giarrusso, Marilena A.; Scott, Janet L.; Strauss, Christopher R. |
Journal of publication | Green Chemistry |
Year of publication | 2006 |
Journal volume | 8 |
Journal issue | 12 |
Pages of publication | 1042 |
a | 11.5683 ± 0.0004 Å |
b | 12.3023 ± 0.0004 Å |
c | 13.6088 ± 0.0005 Å |
α | 98.825 ± 0.001° |
β | 110.125 ± 0.002° |
γ | 111.483 ± 0.002° |
Cell volume | 1603.3 ± 0.11 Å3 |
Cell temperature | 123 ± 2 K |
Ambient diffraction temperature | 123 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1809 |
Residual factor for significantly intense reflections | 0.0644 |
Weighted residual factors for significantly intense reflections | 0.1623 |
Weighted residual factors for all reflections included in the refinement | 0.2063 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.988 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7203441.html
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