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Information card for entry 1518485
Preview
Coordinates | 1518485.cif |
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Original paper (by DOI) | HTML |
Formula | C22 H16 I N O2 S |
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Calculated formula | C22 H16 I N O2 S |
SMILES | IC1=C(c2c(C31N(S(=O)(=O)c1ccccc31)C)cccc2)c1ccccc1 |
Title of publication | Lewis Acid Catalyzed Cascade Reaction of 3-(2-Benzenesulfonamide)propargylic Alcohols to Spiro[indene-benzosultam]s. |
Authors of publication | Sun, Lang; Zhu, Yuanxun; Wang, Jing; Lu, Ping; Wang, Yanguang |
Journal of publication | Organic letters |
Year of publication | 2015 |
Journal volume | 17 |
Journal issue | 2 |
Pages of publication | 242 - 245 |
a | 8.0428 ± 0.0005 Å |
b | 19.587 ± 0.0008 Å |
c | 12.8121 ± 0.0007 Å |
α | 90° |
β | 104.921 ± 0.006° |
γ | 90° |
Cell volume | 1950.29 ± 0.19 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293.15 K |
Number of distinct elements | 6 |
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 | 0.0459 |
Residual factor for significantly intense reflections | 0.0354 |
Weighted residual factors for significantly intense reflections | 0.0753 |
Weighted residual factors for all reflections included in the refinement | 0.0818 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.042 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
176729 (current) | 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. |
1518485.cif |
130819 | 2015-02-04 | cif/ Updating files of 1518485, 1518486 Original log message: Adding full bibliography for 1518485--1518486.cif. |
1518485.cif |
129264 | 2014-12-30 | cif/ Adding structures of 1518485 via cif-deposit CGI script. |
1518485.cif |
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Users of the data should acknowledge the original authors of the
structural data.