Information card for entry 7238922

Structure parameters

• Formula: C30 H48 N6 O6 S
• Calculated formula: C30 H48 N6 O6 S
• Title of publication: Amidothiourea based colorimetric receptors for basic anions: evidence of anion induced deprotonation of amide ‒NH proton and hydroxide induced anion⋯π interaction with the deprotonated receptors
• Authors of publication: Basu, Arghya; Dey, Sandeep Kumar; Das, Gopal
• Journal of publication: RSC Advances
• Year of publication: 2013
• Journal volume: 3
• Journal issue: 18
• Pages of publication: 6596
• a: 11.9041 ± 0.0007 Å
• b: 12.0508 ± 0.0007 Å
• c: 13.7606 ± 0.0008 Å
• α: 71.458 ± 0.004°
• β: 71.925 ± 0.004°
• γ: 69.239 ± 0.004°
• Cell volume: 1706.02 ± 0.18 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1372
• Residual factor for significantly intense reflections: 0.0657
• Weighted residual factors for significantly intense reflections: 0.1714
• Weighted residual factors for all reflections included in the refinement: 0.2034
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No