Information card for entry 7246544

Structure parameters

• Chemical name: N,N'-Bis(5-phenyl-10,11-dihydro-5-dibenzo[a,d]cycloheptenyl)ethylenediamine
• Formula: C109 H104 N4 O3
• Calculated formula: C109 H104 N4 O3
• 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: 12.3235 ± 0.0007 Å
• b: 13.4341 ± 0.0008 Å
• c: 13.8154 ± 0.0008 Å
• α: 107.75 ± 0.002°
• β: 93.267 ± 0.002°
• γ: 102.939 ± 0.002°
• Cell volume: 2103.6 ± 0.2 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: 0.058
• Residual factor for significantly intense reflections: 0.0437
• Weighted residual factors for significantly intense reflections: 0.1081
• Weighted residual factors for all reflections included in the refinement: 0.1208
• 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