Information card for entry 7232500

Structure parameters

• Common name: Suberic acid_isonicotinamide (1:2) cocrystal
• Formula: C20 H26 N4 O6
• Calculated formula: C20 H26 N4 O6
• 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: 7.69 ± 0.012 Å
• b: 8.987 ± 0.015 Å
• c: 16.77 ± 0.03 Å
• α: 96.724 ± 0.006°
• β: 96.41 ± 0.02°
• γ: 115.163 ± 0.015°
• Cell volume: 1025 ± 3 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: 0.1018
• Residual factor for significantly intense reflections: 0.068
• Weighted residual factors for significantly intense reflections: 0.1654
• Weighted residual factors for all reflections included in the refinement: 0.1971
• Goodness-of-fit parameter for all reflections included in the refinement: 1.111
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No