Information card for entry 4134299

Structure parameters

• Common name: SQPhMe2
• Formula: C70 H91 B N8 O4 Zn
• Calculated formula: C70 H91 B N8 O4 Zn
• Title of publication: Spectroscopic Signatures of Resonance Inhibition Reveal Differences in Donor-Bridge and Bridge-Acceptor Couplings.
• Authors of publication: Shultz, David A.; Kirk, Martin L.; Zhang, Jinyuan; Stasiw, Daniel Earl; Wang, Guangbin; Yang, Jing; Habel-Rodriguez, Diana; Stein, Benjamin W.; Sommer, Roger D.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2020
• a: 13.8728 ± 0.0004 Å
• b: 15.2034 ± 0.0005 Å
• c: 16.2677 ± 0.0005 Å
• α: 81.656 ± 0.002°
• β: 77.474 ± 0.002°
• γ: 82.871 ± 0.002°
• Cell volume: 3298.68 ± 0.18 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0857
• Residual factor for significantly intense reflections: 0.0675
• Weighted residual factors for significantly intense reflections: 0.151
• Weighted residual factors for all reflections included in the refinement: 0.1581
• Goodness-of-fit parameter for all reflections included in the refinement: 1.177
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No