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Polymorphism of 1,3-X-adamantanes (X=Br, OH, CH 3 ) and the crystal plastic phase formation ability

Abstract : Electronic Supplementary Information (ESI) available: Crystallographic information files (CIF) for monoclinic phase II at 120K of 1,3-dimethyladamantane (13DMA-120K-phaseII.cif, CCDC 1968483; orthorhombic phase I of 1,3-dibromoadamantane at 294 K (13DBrA-294K-phaseI.cif, CCDC 1968495) and hexagonal phase II of 1,3-adamantanediol at 294 K (13DOHA-294K-phaseII.cif, CCDC 1968482). Lattice parameters (Tables S1 to S5) and volume (Figures S1 and S2) as a function of temperature are provided. Hirshfeld surfaces of the compounds here analysed are provided (Figures S3 to S5). See
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Philippe Négrier, Bacem Hassine, María Barrio, Michela Romanini, Denise Mondieig, et al.. Polymorphism of 1,3-X-adamantanes (X=Br, OH, CH 3 ) and the crystal plastic phase formation ability. CrystEngComm, Royal Society of Chemistry, inPress, ⟨10.1039/C9CE01910C⟩. ⟨hal-02495612⟩

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