Information card for entry 7232497

Structure parameters

• Common name: pimelic acid_isonicotinamide (1:2) cocrystal
• Formula: C57 H72 N12 O18
• Calculated formula: C57 H72 N12 O18
• Title of publication: Does stoichiometry matter? Cocrystals of aliphatic dicarboxylic acids with isonicotinamide: odd‒even alternation in melting points
• Authors of publication: Tothadi, Srinu; Phadkule, Amala
• Journal of publication: CrystEngComm
• Year of publication: 2019
• Journal volume: 21
• Journal issue: 15
• Pages of publication: 2481
• a: 7.4674 ± 0.0016 Å
• b: 15.866 ± 0.003 Å
• c: 24.954 ± 0.006 Å
• α: 97.734 ± 0.009°
• β: 93.796 ± 0.012°
• γ: 93.228 ± 0.008°
• Cell volume: 2916.8 ± 1.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0418
• Residual factor for significantly intense reflections: 0.0357
• Weighted residual factors for significantly intense reflections: 0.1098
• Weighted residual factors for all reflections included in the refinement: 0.1151
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No