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Information card for entry 1566840
Preview
Coordinates | 1566840.cif |
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Original paper (by DOI) | HTML |
Formula | C35 H23 N3 |
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Calculated formula | C35 H23 N3 |
SMILES | n12c(nc(cc2c2ccccc2)C)c(c2cc3c(cccc3)cc2)c(c1c1ccc2c(c1)cccc2)C#N |
Title of publication | Synthesis of Unsymmetrically Tetrasubstituted Pyrroles and Studies of AIEE in Pyrrolo[1,2-a]pyrimidine Derivatives |
Authors of publication | Li, Taian; Chiou, Mong-Feng; Li, Yajun; Ye, Changqing; Su, Min; Xue, Mengyu; Yuan, Xiaobin; Wang, Chuanchuan; Wan, Wen-Ming; Li, Daliang; Bao, Hongli |
Journal of publication | Chemical Science |
Year of publication | 2022 |
a | 9.7978 ± 0.0012 Å |
b | 27.007 ± 0.002 Å |
c | 10.7502 ± 0.0014 Å |
α | 90° |
β | 116.236 ± 0.016° |
γ | 90° |
Cell volume | 2551.6 ± 0.6 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 3 |
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 | 0.1109 |
Residual factor for significantly intense reflections | 0.0883 |
Weighted residual factors for significantly intense reflections | 0.2547 |
Weighted residual factors for all reflections included in the refinement | 0.2749 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.09 |
Diffraction radiation wavelength | 1.3405 Å |
Diffraction radiation type | GaKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
274606 (current) | 2022-04-21 | cif/ Adding structures of 1566835, 1566836, 1566837, 1566838, 1566839, 1566840, 1566841, 1566842, 1566843 via cif-deposit CGI script. |
1566840.cif |
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Users of the data should acknowledge the original authors of the
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