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Information card for entry 1573841
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Coordinates | 1573841.cif |
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Original paper (by DOI) | HTML |
Common name | Furil, phase II |
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Chemical name | Di(furan-2-yl)ethanedione |
Formula | C10 H6 O4 |
Calculated formula | C10 H6 O4 |
Title of publication | Double-core nanothread formation from α-furil <i>via</i> a pressure-induced planarization pathway. |
Authors of publication | Dunning, Samuel G.; Hari, Anirudh; Zhu, Li; Chen, Bo; Cody, George D.; Romi, Sebastiano; Zhang, Dongzhou; Strobel, Timothy A. |
Journal of publication | Chemical science |
Year of publication | 2025 |
Journal volume | 16 |
Journal issue | 9 |
Pages of publication | 4144 - 4151 |
a | 14.586 ± 0.005 Å |
b | 7.0535 ± 0.0014 Å |
c | 3.4512 ± 0.0006 Å |
α | 90° |
β | 93.132 ± 0.015° |
γ | 90° |
Cell volume | 354.54 ± 0.15 Å3 |
Cell temperature | 273.15 K |
Ambient diffraction temperature | 273.15 K |
Number of distinct elements | 3 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.2663 |
Residual factor for significantly intense reflections | 0.155 |
Weighted residual factors for significantly intense reflections | 0.3424 |
Weighted residual factors for all reflections included in the refinement | 0.388 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.13 |
Diffraction radiation wavelength | 0.434 Å |
Diffraction radiation type | Synchrotron |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
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298147 (current) | 2025-03-04 | cif/ Updating files of 1573840, 1573841, 1573842 Original log message: Adding full bibliography for 1573840--1573842.cif. |
1573841.cif |
297577 | 2025-02-04 | cif/ Adding structures of 1573840, 1573841, 1573842 via cif-deposit CGI script. |
1573841.cif |
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