Information card for entry 7714711

Structure parameters

• Formula: C46 H82 Cl2 N10 O8 S2
• Calculated formula: C46 H82 Cl2 N10 O8 S2
• Title of publication: Novel anionic surfactant-modified chlorhexidine and its potent antimicrobial properties.
• Authors of publication: Muneeswaran, Zilma Pereira; Teoman, Baran; Wang, Yu; Chaudhry, Haroon; Brinzari, Tatiana V.; Verma, Gaurav; Ranasinghe, Lomaani; Kaler, Kylie Ryan; Huang, Xiaoyi; He, Xing; Thomas, Belvin; Xu, Shiyou; Cheng, Chi-Yuan; Boyd, Jeffrey M.; Chen, Dailin; Hao, Zhigang; Ma, Shengqian; Asefa, Tewodros; Pan, Long; Dubovoy, Viktor
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 6
• Pages of publication: 2670 - 2677
• a: 11.6393 ± 0.0003 Å
• b: 13.6352 ± 0.0003 Å
• c: 18.84 ± 0.0005 Å
• α: 70.244 ± 0.001°
• β: 78.398 ± 0.001°
• γ: 89.769 ± 0.002°
• Cell volume: 2749.86 ± 0.12 ų
• Cell temperature: 99.99 K
• Ambient diffraction temperature: 99.99 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1035
• Residual factor for significantly intense reflections: 0.074
• Weighted residual factors for significantly intense reflections: 0.1713
• Weighted residual factors for all reflections included in the refinement: 0.1805
• Goodness-of-fit parameter for all reflections included in the refinement: 1.135
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No