Information card for entry 7213649

Structure parameters

• Formula: C34 H32 N2
• Calculated formula: C34 H32 N2
• SMILES: c1cc(C#CC23CCC(CC2)(C#CC#CC24CCC(C#Cc5ccncc5)(CC2)CC4)CC3)ccn1
• Title of publication: Changing gears to neutral in a polymorph of one-dimensional arrays of cogwheel-like pairs of molecular rotors
• Authors of publication: Bastien, Guillaume; Lemouchi, Cyprien; Allain, Magali; Wzietek, Pawel; Rodríguez-Fortea, Antonio; Canadell, Enric; Iliopoulos, Konstantinos; Gindre, Denis; Chrysos, Michael; Batail, Patrick
• Journal of publication: CrystEngComm
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 7
• Pages of publication: 1241
• a: 36.831 ± 0.003 Å
• b: 6.1181 ± 0.0004 Å
• c: 12.2456 ± 0.0012 Å
• α: 90°
• β: 99.224 ± 0.007°
• γ: 90°
• Cell volume: 2723.7 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1565
• Residual factor for significantly intense reflections: 0.059
• Weighted residual factors for significantly intense reflections: 0.1181
• Weighted residual factors for all reflections included in the refinement: 0.1512
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No