Information card for entry 7135815

Structure parameters

• Formula: C14 H14 N2 O3 S2
• Calculated formula: C14 H14 N2 O3 S2
• Title of publication: Cooperative Organelle Targeting from a Single Molecular Module: Sterically Hindered Phenol–Diaminopyridine–Functionalized Cycloalkynes for Mitochondria–Endoplasmic Reticulum Localization
• Authors of publication: Vidyakina, Aleksandra A.; Kim, Mia D.; Silonov, Sergey A.; Galkin, Egor S.; Kryukova, Mariya A.; Gibadullina , Elmira Мingaleevna; Shakirov, Adel M.; Voloshina, Alexandra Dmitrievna; Chugunova, Elena A.; Burilov, Alexander R.; Sinyashin, Oleg Geroldovich; Balova, Irina; Alabugin, Igor; Danilkina, Natalia
• Journal of publication: Chemical Communications
• Year of publication: 2026
• a: 5.8114 ± 0.0002 Å
• b: 14.2733 ± 0.0005 Å
• c: 17.1408 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1421.79 ± 0.09 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0566
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for significantly intense reflections: 0.1065
• Weighted residual factors for all reflections included in the refinement: 0.1094
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No