Information card for entry 7247539

Structure parameters

• Chemical name: N,N'-Bis(5-phenyl-10,11-dihydro-5-dibenzo[a,d]cycloheptenyl)ethylenediamine
• Formula: C106 H101 N7
• Calculated formula: C106 H101 N7
• 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: 9.0013 ± 0.0003 Å
• b: 26.7346 ± 0.0009 Å
• c: 9.0416 ± 0.0003 Å
• α: 90°
• β: 114.066 ± 0.002°
• γ: 90°
• Cell volume: 1986.7 ± 0.12 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0658
• Residual factor for significantly intense reflections: 0.0499
• Weighted residual factors for significantly intense reflections: 0.1238
• Weighted residual factors for all reflections included in the refinement: 0.1362
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No