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Information card for entry 1548053
Preview
Coordinates | 1548053.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C26 H17 N |
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Calculated formula | C26 H17 N |
SMILES | c1cccc2c1c(c1c(cccc1)n2)C1c2ccccc2c2ccccc12 |
Title of publication | A fluorenylidene-acridane that becomes dark in color upon grinding - ground state mechanochromism by conformational change. |
Authors of publication | Suzuki, Tsuyoshi; Okada, Hiroshi; Nakagawa, Takafumi; Komatsu, Kazuki; Fujimoto, Chikako; Kagi, Hiroyuki; Matsuo, Yutaka |
Journal of publication | Chemical science |
Year of publication | 2018 |
Journal volume | 9 |
Journal issue | 2 |
Pages of publication | 475 - 482 |
a | 8.2997 ± 0.0003 Å |
b | 33.2041 ± 0.0004 Å |
c | 12.4646 ± 0.0011 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 3435 ± 0.3 Å3 |
Cell temperature | 123 ± 2 K |
Ambient diffraction temperature | 123 ± 2 K |
Number of distinct elements | 3 |
Space group number | 61 |
Hermann-Mauguin space group symbol | P b c a |
Hall space group symbol | -P 2ac 2ab |
Residual factor for all reflections | 0.0368 |
Residual factor for significantly intense reflections | 0.0336 |
Weighted residual factors for significantly intense reflections | 0.1049 |
Weighted residual factors for all reflections included in the refinement | 0.1091 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.929 |
Diffraction radiation wavelength | 1.54187 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/1548053.html
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