Information card for entry 1577076

Structure parameters

• Formula: C14 H15 Br2 N O
• Calculated formula: C14 H15 Br2 N O
• Title of publication: Synthesis of bacteriochlorophyll <i>a</i>.
• Authors of publication: Chung, Duy T. M.; Nguyen, Khiem Chau; Liu, Yizhou; Lindsey, Jonathan S.
• Journal of publication: Chemical science
• Year of publication: 2026
• Journal volume: 17
• Journal issue: 15
• Pages of publication: 7454 - 7465
• a: 4.913 ± 0.0006 Å
• b: 11.0001 ± 0.0014 Å
• c: 13.3169 ± 0.0017 Å
• α: 90°
• β: 93.04 ± 0.005°
• γ: 90°
• Cell volume: 718.68 ± 0.16 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0345
• Residual factor for significantly intense reflections: 0.0331
• Weighted residual factors for significantly intense reflections: 0.0859
• Weighted residual factors for all reflections included in the refinement: 0.087
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No