Information card for entry 7231089

Structure parameters

• Formula: C32 H24 N2 O2
• Calculated formula: C32 H24 N2 O2
• Title of publication: Organic co-crystals of 1,3-bis(4-pyridyl)azulene with a series of hydrogen-bond donors
• Authors of publication: Ion, Adrian E.; Dogaru, Andreea; Shova, Sergiu; Madalan, Augustin M.; Akintola, Oluseun; Ionescu, Sorana; Voicescu, Mariana; Nica, Simona; Buchholz, Axel; Plass, Winfried; Andruh, Marius
• Journal of publication: CrystEngComm
• Year of publication: 2018
• Journal volume: 20
• Journal issue: 31
• Pages of publication: 4463
• a: 7.1365 ± 0.0009 Å
• b: 22.3829 ± 0.0014 Å
• c: 30.1328 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4813.3 ± 0.7 ų
• Cell temperature: 200 ± 0.1 K
• Ambient diffraction temperature: 200 ± 0.1 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: 0.1141
• Residual factor for significantly intense reflections: 0.0593
• Weighted residual factors for significantly intense reflections: 0.1003
• Weighted residual factors for all reflections included in the refinement: 0.1224
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No