Information card for entry 7247536

Structure parameters

• Common name: none
• Chemical name: N,N'-bis(5-phenyl-5H-dibenzo[a,d][7]annulen-5-yl)ethane-1,2-diamine pyridine clathrate
• Formula: C54 H46 N4
• Calculated formula: C54 H46 N4
• Title of publication: The behaviour of tricyclic fused host systems comprising seven-membered B-rings in mixed pyridines
• Authors of publication: Barton, Benita; Caira, Mino R.; Trollip, Danica B.; Hosten, Eric C.
• Journal of publication: CrystEngComm
• Year of publication: 2023
• Journal volume: 25
• Journal issue: 45
• Pages of publication: 6317 - 6328
• a: 9.0392 ± 0.0004 Å
• b: 9.0518 ± 0.0003 Å
• c: 13.7313 ± 0.0006 Å
• α: 76.202 ± 0.001°
• β: 74.883 ± 0.001°
• γ: 67.225 ± 0.001°
• Cell volume: 988.05 ± 0.07 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0838
• Residual factor for significantly intense reflections: 0.0476
• Weighted residual factors for significantly intense reflections: 0.1062
• Weighted residual factors for all reflections included in the refinement: 0.13
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No