Information card for entry 7243044

Structure parameters

• Formula: C31 H19 N2 O
• Calculated formula: C31 H19 N2 O
• Title of publication: Formation of sandwich, macrocyclic and box supramolecular assemblies that were controlled by the distance of two oxygen atoms in hydrogen bonding donors
• Authors of publication: Zeng, Fei; Tang, Lin-Li; Liao, Juan; Ding, Man-Hua; Ou, Guang-Chuan
• Journal of publication: CrystEngComm
• Year of publication: 2021
• Journal volume: 23
• Journal issue: 28
• Pages of publication: 4901 - 4904
• a: 8.459 ± 0.004 Å
• b: 10.258 ± 0.005 Å
• c: 13.519 ± 0.007 Å
• α: 107.813 ± 0.005°
• β: 96.028 ± 0.006°
• γ: 91.195 ± 0.006°
• Cell volume: 1108.9 ± 0.9 ų
• Cell temperature: 296.15 K
• Ambient diffraction temperature: 296.15 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: 0.0708
• Residual factor for significantly intense reflections: 0.0483
• Weighted residual factors for significantly intense reflections: 0.1319
• Weighted residual factors for all reflections included in the refinement: 0.1471
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No