Information card for entry 7035394

Structure parameters

• Formula: C36 H42 N6 O2
• Calculated formula: C36 H42 N6 O2
• SMILES: O1c2cc(N(CC)CC)ccc2C2(N(C(=O)c3c2cccc3)CCNCc2c(N)nccc2)c2ccc(N(CC)CC)cc12
• Title of publication: Dual mode signaling responses of a rhodamine based probe and its immobilization onto a silica gel surface for specific mercury ion detection.
• Authors of publication: Pal, Ajoy; Bag, Bamaprasad
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 34
• Pages of publication: 15304 - 15315
• a: 11.303 ± 0.001 Å
• b: 11.742 ± 0.001 Å
• c: 12.966 ± 0.001 Å
• α: 67.77 ± 0.01°
• β: 89.19 ± 0.01°
• γ: 86.47 ± 0.02°
• Cell volume: 1589.8 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.091
• Residual factor for significantly intense reflections: 0.0633
• Weighted residual factors for significantly intense reflections: 0.1828
• Weighted residual factors for all reflections included in the refinement: 0.2125
• 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: No
• Has Fobs: No