Information card for entry 7201416

Structure parameters

• Formula: C73 H49 N7 O8
• Calculated formula: C73 H49 N7 O8
• Title of publication: Different solvates of two isomeric dicarboxylic acids with pyridine and quinoline
• Authors of publication: Singh, Devendra; Baruah, Jubaraj B.
• Journal of publication: CrystEngComm
• Year of publication: 2009
• Journal volume: 11
• Journal issue: 12
• Pages of publication: 2688
• a: 9.3 ± 0.0003 Å
• b: 12.2201 ± 0.0004 Å
• c: 12.98 ± 0.0005 Å
• α: 97.639 ± 0.002°
• β: 90.821 ± 0.003°
• γ: 99.932 ± 0.002°
• Cell volume: 1439.09 ± 0.09 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.1123
• Residual factor for significantly intense reflections: 0.0532
• Weighted residual factors for significantly intense reflections: 0.1289
• Weighted residual factors for all reflections included in the refinement: 0.1561
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No