Information card for entry 7247537

Structure parameters

• Chemical name: N,N'-Bis(5-phenyl-10,11-dihydro-5-dibenzo[a,d]cycloheptenyl)ethylenediamine
• Formula: C54 H50 N4
• Calculated formula: C54 H50 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: 8.9716 ± 0.0005 Å
• b: 9.2886 ± 0.0005 Å
• c: 13.8221 ± 0.0008 Å
• α: 75.212 ± 0.003°
• β: 76.005 ± 0.003°
• γ: 66.684 ± 0.003°
• Cell volume: 1009.8 ± 0.1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.058
• Residual factor for significantly intense reflections: 0.0406
• Weighted residual factors for significantly intense reflections: 0.0875
• Weighted residual factors for all reflections included in the refinement: 0.0974
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No