Information card for entry 1568443

Structure parameters

• Formula: C21 H22 Br P
• Calculated formula: C21 H22 Br P
• Title of publication: Beyond the TPP⁺ "gold standard": a new generation mitochondrial delivery vector based on extended PN frameworks.
• Authors of publication: Ong, How Chee; Coimbra, João T S; Ramos, Maria J.; Xing, Bengang; Fernandes, Pedro A.; García, Felipe
• Journal of publication: Chemical science
• Year of publication: 2023
• Journal volume: 14
• Journal issue: 15
• Pages of publication: 4126 - 4133
• a: 10.6424 ± 0.0012 Å
• b: 12.4166 ± 0.0015 Å
• c: 14.4706 ± 0.0017 Å
• α: 90°
• β: 93.167 ± 0.004°
• γ: 90°
• Cell volume: 1909.3 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.1175
• Residual factor for significantly intense reflections: 0.0504
• Weighted residual factors for significantly intense reflections: 0.0727
• Weighted residual factors for all reflections included in the refinement: 0.0874
• Goodness-of-fit parameter for all reflections included in the refinement: 0.998
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No