Information card for entry 7238921

Structure parameters

• Formula: C30 H46 N6 O5 S
• Calculated formula: C30 H46 N6 O5 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: 7.9913 ± 0.0002 Å
• b: 12.2522 ± 0.0004 Å
• c: 17.6848 ± 0.0005 Å
• α: 78.78 ± 0.002°
• β: 89.551 ± 0.002°
• γ: 76.168 ± 0.002°
• Cell volume: 1647.83 ± 0.08 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: 0.0629
• Residual factor for significantly intense reflections: 0.0428
• Weighted residual factors for significantly intense reflections: 0.1137
• Weighted residual factors for all reflections included in the refinement: 0.1313
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No