Information card for entry 7250336

Structure parameters

• Common name: none
• Chemical name: N,N'-Bis(5-phenyl-5-dibenzo[a,d]cycloheptenyl)propane-1,3-diamine 4-methylcyclohexanone clathrate
• Formula: C52 H50 N2 O
• Calculated formula: C52 H50 N2 O
• Title of publication: The behaviour of two diamino-derived host compounds in cyclohexanone and isomeric methylcyclohexanones
• Authors of publication: Trollip, Danica B.; Barton, Benita; Caira, Mino R.; Hosten, Eric C.
• Journal of publication: CrystEngComm
• Year of publication: 2025
• Journal volume: 27
• Journal issue: 20
• Pages of publication: 3279 - 3294
• a: 8.8224 ± 0.0006 Å
• b: 15.4017 ± 0.0011 Å
• c: 15.5782 ± 0.0011 Å
• α: 98.682 ± 0.002°
• β: 104.994 ± 0.002°
• γ: 102.791 ± 0.002°
• Cell volume: 1944.6 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0679
• Residual factor for significantly intense reflections: 0.0537
• Weighted residual factors for significantly intense reflections: 0.1114
• Weighted residual factors for all reflections included in the refinement: 0.1173
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No