Information card for entry 7231088

Structure parameters

• Formula: C29 H21.7 N2 O6.85
• Calculated formula: C29 H21.7 N2 O6.85
• 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: 21.627 ± 0.002 Å
• b: 7.3399 ± 0.0007 Å
• c: 20.281 ± 0.003 Å
• α: 90°
• β: 117.943 ± 0.007°
• γ: 90°
• Cell volume: 2844.1 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1492
• Residual factor for significantly intense reflections: 0.0821
• Weighted residual factors for significantly intense reflections: 0.2051
• Weighted residual factors for all reflections included in the refinement: 0.2523
• Goodness-of-fit parameter for all reflections included in the refinement: 0.992
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No