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Information card for entry 1540732
Preview
Coordinates | 1540732.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C30 H22 N2 |
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Calculated formula | C30 H22 N2 |
SMILES | n1(c(c2ccccc2)cc2n(c(cc12)c1ccccc1)c1ccccc1)c1ccccc1 |
Title of publication | Pyrrolo-[3,2-b]pyrroles for Photochromic Analysis of Halocarbons. |
Authors of publication | Wu, Jia-Ying; Yu, Cheng-Han; Wen, Jung-Jung; Chang, Chiou-Ling; Leung, Man-Kit |
Journal of publication | Analytical chemistry |
Year of publication | 2016 |
Journal volume | 88 |
Journal issue | 2 |
Pages of publication | 1195 - 1201 |
a | 6.1843 ± 0.0015 Å |
b | 7.4512 ± 0.0013 Å |
c | 11.96 ± 0.002 Å |
α | 95.69 ± 0.015° |
β | 95.67 ± 0.018° |
γ | 100.847 ± 0.018° |
Cell volume | 534.7 ± 0.19 Å3 |
Cell temperature | 295 ± 2 K |
Ambient diffraction temperature | 295 ± 2 K |
Number of distinct elements | 3 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1229 |
Residual factor for significantly intense reflections | 0.0798 |
Weighted residual factors for significantly intense reflections | 0.2003 |
Weighted residual factors for all reflections included in the refinement | 0.234 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.082 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/1540732.html
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