Information card for entry 7250339

Structure parameters

• Common name: none
• Chemical name: N,N'-Bis(5-phenyl-5-dibenzo[a,d]cycloheptenyl)propane-1,3-diamine cyclohexanone clathrate
• Formula: C51 H48 N2 O
• Calculated formula: C51 H48 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: 15.1599 ± 0.001 Å
• b: 11.4773 ± 0.0006 Å
• c: 21.8168 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3796 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0579
• Residual factor for significantly intense reflections: 0.054
• Weighted residual factors for significantly intense reflections: 0.135
• Weighted residual factors for all reflections included in the refinement: 0.1379
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No