Information card for entry 1568444

Structure parameters

• Formula: C23 H29 Br N O P
• Calculated formula: C23 H29 Br N O 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: 13.9907 ± 0.0003 Å
• b: 14.6428 ± 0.0004 Å
• c: 21.7567 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4457.1 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0807
• Residual factor for significantly intense reflections: 0.0425
• Weighted residual factors for significantly intense reflections: 0.0821
• Weighted residual factors for all reflections included in the refinement: 0.0954
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No