Information card for entry 4333248

Structure parameters

• Formula: C23 H22 Cl2 N2 O2.33333 S Zn
• Calculated formula: C23 H22 Cl2 N2 O2.33333 S Zn
• SMILES: [Zn]12(Cl)(Cl)[N](=CC3C(Oc4c(C=3)cc3c5N(CCC3)CCCc45)=[O]1)c1c([S]2C)cccc1.O
• Title of publication: Rationally Designed Fluorescence Turn-On Sensors: A New Design Strategy Based on Orbital Control
• Authors of publication: Jung, Hyo Sung; Ko, Kyoung Chul; Lee, Jae Hong; Kim, Sang Hoon; Bhuniya, Sankarprasad; Lee, Jin Yong; Kim, Youngmee; Kim, Sung Jin; Kim, Jong Seung
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Journal issue: 18
• Pages of publication: 8552 - 8557
• a: 10.07 ± 0.002 Å
• b: 25.585 ± 0.005 Å
• c: 27.655 ± 0.006 Å
• α: 90°
• β: 93.89 ± 0.03°
• γ: 90°
• Cell volume: 7109 ± 3 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.2584
• Residual factor for significantly intense reflections: 0.0827
• Weighted residual factors for significantly intense reflections: 0.2021
• Weighted residual factors for all reflections included in the refinement: 0.2378
• Goodness-of-fit parameter for all reflections included in the refinement: 0.863
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No