Information card for entry 7049703

Structure parameters

• Formula: C114 H125 N22 O7 S6
• Calculated formula: C114 H125 N22 O7 S6
• Title of publication: Benzothiazole integrated into a cryptand for ESIPT-based selective chemosensor for Zn²⁺ ions.
• Authors of publication: Gupta, Mayank; Sahana, Sunanda; Sharma, Vivekanand; Bharadwaj, Parimal K.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 22
• Pages of publication: 7801 - 7808
• a: 35.135 ± 0.011 Å
• b: 14.185 ± 0.004 Å
• c: 24.132 ± 0.006 Å
• α: 90°
• β: 112.963 ± 0.011°
• γ: 90°
• Cell volume: 11074 ± 5 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1492
• Residual factor for significantly intense reflections: 0.0831
• Weighted residual factors for significantly intense reflections: 0.2108
• Weighted residual factors for all reflections included in the refinement: 0.2607
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No