Information card for entry 7244875

Structure parameters

• Chemical name: 1,3,5-tris(4-formyl phenoxymethyl)mesitylene
• Formula: C36 H36 O7
• Calculated formula: C36 H36 O7
• Title of publication: Structure directing roles of weak noncovalent interactions and charge-assisted hydrogen bonds in the self-assembly of solvated podands: Example of an anion-assisted dimeric water capsule
• Authors of publication: Dey, Sandeep Kumar; Harmalkar, Sarvesh S.; Yadav, Rahul K. H. O.; Lama, Prem; Das, Gopal
• Journal of publication: CrystEngComm
• Year of publication: 2022
• a: 8.2648 ± 0.0011 Å
• b: 15.324 ± 0.002 Å
• c: 24.254 ± 0.003 Å
• α: 90°
• β: 91.5 ± 0.002°
• γ: 90°
• Cell volume: 3070.7 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0717
• Residual factor for significantly intense reflections: 0.0614
• Weighted residual factors for significantly intense reflections: 0.1491
• Weighted residual factors for all reflections included in the refinement: 0.1566
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No