Information card for entry 7229289

Structure parameters

• Formula: C42 H45 N5 O6
• Calculated formula: C42 H45 N5 O6
• SMILES: c1(=O)cc(C)c2ccc(c(c2o1)/C=N/N1C(=O)c2ccccc2C21c1ccc(cc1Oc1cc(ccc21)N(CC)CC)N(CC)CC)O.CN(C)C=O
• Title of publication: A novel dual-channel chemosensor for CN− based on rhodamine B hydrazide derivatives and its application in bitter almond
• Authors of publication: Pei, Peng-Xiang; Hu, Jing-Han; Ni, Peng-Wei; Long, Chen; Su, Jun-Xia; Sun, You
• Journal of publication: RSC Adv.
• Year of publication: 2017
• Journal volume: 7
• Journal issue: 74
• Pages of publication: 46832
• a: 11.9159 ± 0.0016 Å
• b: 11.9873 ± 0.0017 Å
• c: 15.626 ± 0.002 Å
• α: 75.842 ± 0.002°
• β: 89.055 ± 0.002°
• γ: 65.212 ± 0.002°
• Cell volume: 1955.4 ± 0.5 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: 0.0869
• Residual factor for significantly intense reflections: 0.0587
• Weighted residual factors for significantly intense reflections: 0.1492
• Weighted residual factors for all reflections included in the refinement: 0.1641
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No