Electron diffraction, X-ray powder diffraction and pair-distribution-function analyses to determine the crystal structures of Pigment Yellow 213, C23H21N5O9

Schmidt, M.U.; Brühne, S.; Wolf, A.K.; Rech, A.; Brüning, J.; Alig, E.; Fink, L.; Buchsbaum, C.; Glinnemann, J.; van de Streek, J.; Gozzo, F.; Brunelli, M.; Stowasser, F.; Gorelik, T.; Mugnaioli, E.; Kolb, U.

doi:10.1107/S0108768109003759

Acta Crystallographica Section B
Acta Crystallographica
Section B STRUCTURAL SCIENCE, CRYSTAL ENGINEERING AND MATERIALS

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Figure 3
Intramolecular degrees of freedom: The torsion angles $[\tau_1]$ – $[\tau_3]$ and $[\tau_5]$ – $[\tau_6]$ were treated as variable during the structure solution by real-space methods. In the lattice-energy minimizations additionally $[\tau_4]$ and $[\alpha_1]$ were varied.

STRUCTURAL SCIENCE
CRYSTAL ENGINEERING
MATERIALS

ISSN: 2052-5206

Volume 65| Part 2| March 2009| Pages 189-199

doi:10.1107/S0108768109003759

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