Information card for entry 7207463

Structure parameters

• Common name: 75% 6-Methylquinoline/fumaric acid (2:1) 25% Quinoline/fumaric acid (2:1)
• Formula: C23.5 H21 N2 O4
• Calculated formula: C23.5 H21 N2 O4
• Title of publication: An experimental screen for quinoline/fumaric acid salts and co-crystals
• Authors of publication: Bekö, Sándor L.; Schmidt, Martin U.; Bond, Andrew D.
• Journal of publication: CrystEngComm
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 6
• Pages of publication: 1967
• a: 3.8588 ± 0.0002 Å
• b: 19.5187 ± 0.0011 Å
• c: 13.072 ± 0.0008 Å
• α: 90°
• β: 92.465 ± 0.003°
• γ: 90°
• Cell volume: 983.66 ± 0.1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0644
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.0921
• Weighted residual factors for all reflections included in the refinement: 0.1011
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No