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Information card for entry 1508851
Preview
Coordinates | 1508851.cif |
---|---|
Original paper (by DOI) | HTML |
External links | ChemSpider |
Formula | C36 H48 S4 Si2 |
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Calculated formula | C36 H48 S4 Si2 |
SMILES | c12c(c3c(c4c5c(c6c(c14)scc6)ccs5)sc(c3)[Si](C(C)C)(C(C)C)C(C)C)cc(s2)[Si](C(C)C)(C(C)C)C(C)C |
Title of publication | Sequential Electrophilic and Photochemical Cyclizations from Bis(bithienyl)acetylene to a Tetrathienonaphthalene Core. |
Authors of publication | Dou, Chuandong; Saito, Shohei; Gao, Libin; Matsumoto, Naoki; Karasawa, Takashi; Zhang, Hongyu; Fukazawa, Aiko; Yamaguchi, Shigehiro |
Journal of publication | Organic letters |
Year of publication | 2013 |
Journal volume | 15 |
Journal issue | 1 |
Pages of publication | 80 - 83 |
a | 7.5456 ± 0.0011 Å |
b | 12.1175 ± 0.0017 Å |
c | 19.49 ± 0.003 Å |
α | 80.956 ± 0.004° |
β | 88.114 ± 0.004° |
γ | 87.511 ± 0.004° |
Cell volume | 1757.6 ± 0.4 Å3 |
Cell temperature | 123 ± 2 K |
Ambient diffraction temperature | 123 ± 2 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0387 |
Residual factor for significantly intense reflections | 0.0323 |
Weighted residual factors for significantly intense reflections | 0.0781 |
Weighted residual factors for all reflections included in the refinement | 0.082 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.054 |
Diffraction radiation wavelength | 0.7107 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. |
1508851.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. |
1508851.cif |
91932 | 2013-12-28 | cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs. |
1508851.cif |
74004 | 2013-02-21 | cif/ Adding structures of 1508851 via cif-deposit CGI script. |
1508851.cif |
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Users of the data should acknowledge the original authors of the
structural data.