Proceedings of the Royal Society of London A Mathematical and Physical Sciences · 1955 · 149 citations · 7 references
Natural SciencesChemistryComputational ChemistryCrystal StructureMolecular PhysicsCrystal ChemistryCrystal SymmetryCrystallographyMolecular StructureMolecular SymmetryStructure DeterminationAtomic Coordinate RefinementCrystal Structure DeterminationCrystal Structure RefinementMolecular Structure DeterminationOrthorhombic SystemUnit Cell DeterminationUnit Cell GeometryUnit Cell Parameters
Abstract Fluorene, C13H10, crystallizes in the orthorhombic system, space group Pnam with four molecules per unit cell. The molecule possesses a plane of symmetry which is parallel to the (001) plane of the crystal. The structure has been determined by trial-and-error methods, followed (i) by a least-squares refinement and (ii) by two-dimensional Fourier syntheses. The results from the two methods of refinement are compared and for (ii) a method is given for systematically correcting for overlapping of atoms in projections. The accuracy of the co-ordinates given by these methods is discussed in detail, and it is concluded that the co-ordinates adopted are correct to ±0.017 Å. The carbon skeleton is planar to within the experimental error and the equation of the plane is y = 1.4375x + 11.0947.
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On the crystal and molecular structure of fluorene
G. M. Brown, Morton Bortner · Acta Crystallographica · 1954 · 40 citations · Full text