Information card for entry 7223721

Structure parameters

• Chemical name: N,N',N''-triphenylguanidinium naphthalaldehydate,(PhNH)3C.15
• Formula: C31 H25 N3 O3
• Calculated formula: C31 H25 N3 O3
• Title of publication: Two modes of peri-interaction between an aldehyde group and a carboxylate anion in naphthalaldehydate salts
• Authors of publication: Saritemur, Gizem; Nomen Miralles, Laura; Husson, Deborah; Pitak, Mateusz B.; Coles, Simon J.; Wallis, John D.
• Journal of publication: CrystEngComm
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 6
• Pages of publication: 948
• a: 20.9749 ± 0.0014 Å
• b: 19.1882 ± 0.0006 Å
• c: 13.2738 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5342.3 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0518
• Residual factor for significantly intense reflections: 0.0394
• Weighted residual factors for significantly intense reflections: 0.094
• Weighted residual factors for all reflections included in the refinement: 0.1004
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No