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. 2021 Oct 21;6(Pt 10):x211096. doi: 10.1107/S2414314621010968
Geometry. All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes.
Refinement. H atoms were located in a difference map and refined in idealized positions using a riding model with atomic displacement parameters of Uiso(H) = 1.2Ueq(C) and with a C—H distance of 0.95 Å.