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