Information card for entry 4038326

Structure parameters

• Formula: C34 H42 N4 O7
• Calculated formula: C34 H42 N4 O7
• Title of publication: Asymmetric Synthesis of a Bacteriochlorophyll Model Compound Containing <i>trans</i>-Dialkyl Substituents in Ring D.
• Authors of publication: Nguyen, Khiem Chau; Wang, Pengzhi; Sommer, Roger D.; Lindsey, Jonathan S.
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2020
• Journal volume: 85
• Journal issue: 10
• Pages of publication: 6605 - 6619
• a: 14.5879 ± 0.0004 Å
• b: 10.2102 ± 0.0003 Å
• c: 23.8219 ± 0.0007 Å
• α: 90°
• β: 106.882 ± 0.002°
• γ: 90°
• Cell volume: 3395.25 ± 0.17 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0631
• Residual factor for significantly intense reflections: 0.0483
• Weighted residual factors for significantly intense reflections: 0.1224
• Weighted residual factors for all reflections included in the refinement: 0.1326
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No