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Information card for entry 1506170
Preview
Coordinates | 1506170.cif |
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Original paper (by DOI) | HTML |
Formula | C13 H20 N O2.5 S1.5 |
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Calculated formula | C13 H17 N O4 S |
Title of publication | Anomalous anthracene arrangement and rare excimer emission in the solid state: transcription and translation of molecular information. |
Authors of publication | Mizobe, Yuji; Miyata, Mikiji; Hisaki, Ichiro; Hasegawa, Yasuchika; Tohnai, Norimitsu |
Journal of publication | Organic letters |
Year of publication | 2006 |
Journal volume | 8 |
Journal issue | 19 |
Pages of publication | 4295 - 4298 |
a | 5.6042 ± 0.0009 Å |
b | 10.207 ± 0.001 Å |
c | 14.106 ± 0.002 Å |
α | 74.48 ± 0.01° |
β | 78.5 ± 0.01° |
γ | 75.38 ± 0.01° |
Cell volume | 744.74 ± 0.18 Å3 |
Cell temperature | 213.2 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 significantly intense reflections | 0.1318 |
Weighted residual factors for all reflections included in the refinement | 0.325 |
Goodness-of-fit parameter for all reflections included in the refinement | 2.733 |
Diffraction radiation wavelength | 1.5419 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
176435 (current) | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2. |
1506170.cif |
120071 | 2014-07-11 | Adding DOIs to range 1 structures. | 1506170.cif |
48056 | 2012-03-26 | ../uploads/cif-deposit/cod/cif Adding structures of 1506170 via cif-deposit CGI script. |
1506170.cif |
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Users of the data should acknowledge the original authors of the
structural data.