Information card for entry 7061357

Structure parameters

• Formula: C38 H53 B N2 Si2
• Calculated formula: C38 H53 B N2 Si2
• Title of publication: Synthesis of bacteriochlorins bearing diverse β-substituents
• Authors of publication: Jing, Haoyu; Wang, Pengzhi; Chen, Boyang; Jiang, Jianbing; Vairaprakash, Pothiappan; Liu, Sijia; Rong, Jie; Chen, Chih-Yuan; Nalaoh, Phattananawee; Lindsey, Jonathan S.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2022
• Journal volume: 46
• Journal issue: 12
• Pages of publication: 5534 - 5555
• a: 7.75 ± 0.001 Å
• b: 15.783 ± 0.002 Å
• c: 16.094 ± 0.002 Å
• α: 106.502 ± 0.005°
• β: 96.507 ± 0.005°
• γ: 99.23 ± 0.005°
• Cell volume: 1836.6 ± 0.4 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0507
• Residual factor for significantly intense reflections: 0.0382
• Weighted residual factors for significantly intense reflections: 0.0909
• Weighted residual factors for all reflections included in the refinement: 0.0973
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No