Information card for entry 4501135
| Formula |
C8 H7 N2 O |
| Calculated formula |
C8 H7 N2 O |
| Title of publication |
Cooperativity in Solid-State Squaramides |
| Authors of publication |
Prohens, Rafel; Portell, Anna; Puigjaner, Cristina; Tomàs, Salvador; Fujii, Kotaro; Harris, Kenneth D. M.; Alcobé, Xavier; Font-Bardia, Mercè; Barbas, Rafael |
| Journal of publication |
Crystal Growth & Design |
| Year of publication |
2011 |
| Journal volume |
11 |
| Journal issue |
9 |
| Pages of publication |
3725 |
| a |
6.03426 ± 0.00025 Å |
| b |
10.9211 ± 0.0005 Å |
| c |
11.9179 ± 0.0006 Å |
| α |
93.0202 ± 0.0026° |
| β |
103.176 ± 0.0026° |
| γ |
92.4776 ± 0.0034° |
| Cell volume |
762.43 ± 0.06 Å3 |
| Number of distinct elements |
4 |
| Space group number |
2 |
| Hermann-Mauguin space group symbol |
P -1 |
| Hall space group symbol |
-P 1 |
| RFsqd |
0.12563 |
| Goodness-of-fit parameter for all reflections |
2.3 |
| Method of determination |
powder diffraction |
| Diffraction radiation probe |
x-ray |
| Diffraction radiation wavelength |
1.5406 Å |
| Diffraction radiation type |
Kα~1~ |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
No |
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https://www.crystallography.net/4501135.html
