Information card for entry 7061356

Structure parameters

• Common name: JHY-NS6-E
• Formula: C15 H20 N2 O2
• Calculated formula: C15 H20 N2 O2
• 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: 11.191 ± 0.0002 Å
• b: 11.9815 ± 0.0002 Å
• c: 21.8035 ± 0.0004 Å
• α: 90°
• β: 90.517 ± 0.001°
• γ: 90°
• Cell volume: 2923.4 ± 0.09 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0453
• Residual factor for significantly intense reflections: 0.0376
• Weighted residual factors for significantly intense reflections: 0.0939
• Weighted residual factors for all reflections included in the refinement: 0.0997
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No