Information card for entry 7246542

Structure parameters

• Chemical name: N,N'-bis(5-phenyl-5-dibenzo[a,d]cycloheptenyl)ethylenediamine 4-methylanisole
• Formula: C52 H46 N2 O
• Calculated formula: C52 H46 N2 O
• Title of publication: Host behaviour of two tricyclic fused systems in mixed anisole guest solvents
• Authors of publication: Barton, Benita; Trollip, Danica B.; Hosten, Eric C.
• Journal of publication: CrystEngComm
• Year of publication: 2023
• Journal volume: 25
• Journal issue: 20
• Pages of publication: 3013 - 3024
• a: 8.7789 ± 0.0005 Å
• b: 10.3493 ± 0.0006 Å
• c: 11.4397 ± 0.0006 Å
• α: 96.56 ± 0.002°
• β: 102.11 ± 0.002°
• γ: 102.726 ± 0.002°
• Cell volume: 977.14 ± 0.1 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.0473
• Residual factor for significantly intense reflections: 0.0411
• Weighted residual factors for significantly intense reflections: 0.1075
• Weighted residual factors for all reflections included in the refinement: 0.1129
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No