Information card for entry 4134300

Structure parameters

• Common name: 607-Me2Ph
• Formula: C65 H79.86 B Cl1.14 N8 O4.43 Zn
• Calculated formula: C65 H79.8642 B Cl1.1358 N8 O4.4321 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: 13.7356 ± 0.0009 Å
• b: 14.3196 ± 0.0008 Å
• c: 16.8518 ± 0.0011 Å
• α: 77.839 ± 0.002°
• β: 82.276 ± 0.002°
• γ: 72.005 ± 0.002°
• Cell volume: 3073.1 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0624
• Residual factor for significantly intense reflections: 0.0393
• Weighted residual factors for significantly intense reflections: 0.0913
• Weighted residual factors for all reflections included in the refinement: 0.1011
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No