Information card for entry 7200722

Structure parameters

• Formula: C19 H26 Cl2 N4 O2
• Calculated formula: C19 H26 Cl2 N4 O2
• SMILES: c1(CCCCCc2[nH]c3ccccc3[nH+]2)[nH]c2ccccc2[nH+]1.[Cl-].O.[Cl-].O
• Title of publication: Molecular bricklaying II. : Anion and chain length effects in bisbenzimidazolonium salts
• Authors of publication: Verdan, Simon; Melich, Xavier; Bernardinelli, Gérald; Williams, Alan F.
• Journal of publication: CrystEngComm
• Year of publication: 2009
• Journal volume: 11
• Journal issue: 7
• Pages of publication: 1416
• a: 11.3088 ± 0.0009 Å
• b: 14.4566 ± 0.0012 Å
• c: 13.4445 ± 0.0012 Å
• α: 90°
• β: 109.661 ± 0.009°
• γ: 90°
• Cell volume: 2069.9 ± 0.3 ų
• Cell temperature: 200 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for significantly intense reflections: 0.029
• Weighted residual factors for all reflections included in the refinement: 0.029
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No