Information card for entry 1570768

Structure parameters

• Common name: Diadamantanocyclophane dialdehyde (DADA)
• Formula: C44 H50 O2 S4
• Calculated formula: C44 H50 O2 S4
• Title of publication: π-Face strapped monomers enable self-stabilized hyperbranched π-conjugated polymer particles
• Authors of publication: Mohanan, Manikandan; Zhang, Xinran; Gavvalapalli, Nagarjuna
• Journal of publication: Polymer Chemistry
• Year of publication: 2024
• Journal volume: 15
• Journal issue: 5
• Pages of publication: 422 - 430
• a: 9.6958 ± 0.0003 Å
• b: 17.1453 ± 0.0005 Å
• c: 18.5627 ± 0.0006 Å
• α: 85.106 ± 0.002°
• β: 77.072 ± 0.002°
• γ: 78.794 ± 0.002°
• Cell volume: 2947.43 ± 0.16 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: 0.1073
• Residual factor for significantly intense reflections: 0.0559
• Weighted residual factors for significantly intense reflections: 0.1169
• Weighted residual factors for all reflections included in the refinement: 0.1388
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No