Information card for entry 4333247

Structure parameters

• Formula: C23 H22 N2 O2.13 S
• Calculated formula: C23 H22 N2 O2.125 S
• 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: 7.355 ± 0.003 Å
• b: 20.112 ± 0.007 Å
• c: 26.68 ± 0.009 Å
• α: 90°
• β: 90.309 ± 0.007°
• γ: 90°
• Cell volume: 3947 ± 3 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 2 K
• Number of distinct elements: 5
• 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: 0.2539
• Residual factor for significantly intense reflections: 0.125
• Weighted residual factors for significantly intense reflections: 0.2802
• Weighted residual factors for all reflections included in the refinement: 0.3168
• Goodness-of-fit parameter for all reflections included in the refinement: 0.889
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No