Information card for entry 7242385

Structure parameters

• Chemical name: BDP-3
• Formula: C46 H34 B F2 N3 O6 S2
• Calculated formula: C46 H34 B F2 N3 O6 S2
• Title of publication: A molecular design towards sulfonyl aza-BODIPY based NIR fluorescent and colorimetric probe for selective cysteine detection
• Authors of publication: Pham, Thanh Chung; Choi, Yeonghwan; Bae, Chaeeon; Tran, Cong So; Kim, Dongwon; Jung, Ok-Sang; Kang, Yong-Cheol; Seo, SungYong; Kim, Hyun Sung; Yun, Hwayoung; Zhou, Xin; Lee, Songyi
• Journal of publication: RSC Advances
• Year of publication: 2021
• Journal volume: 11
• Journal issue: 17
• Pages of publication: 10154 - 10158
• a: 16.04 ± 0.003 Å
• b: 17.1 ± 0.003 Å
• c: 17.864 ± 0.004 Å
• α: 116.45 ± 0.03°
• β: 103.07 ± 0.03°
• γ: 103.99 ± 0.03°
• Cell volume: 3930 ± 2 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1383
• Residual factor for significantly intense reflections: 0.0942
• Weighted residual factors for significantly intense reflections: 0.2975
• Weighted residual factors for all reflections included in the refinement: 0.3206
• Goodness-of-fit parameter for all reflections included in the refinement: 1.135
• Diffraction radiation wavelength: 0.7 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No