Information card for entry 7104353

Structure parameters

• Formula: C36 H47 N O7
• Calculated formula: C36 H47 N O7
• SMILES: O1[C@@]23C(OC)(OC)[C@]1(COCCOCCN(Cc1c4c(cc5c1cccc5)cccc4)CCOCCOC3)[C@@H]1[C@H]2CCCC1
• Title of publication: Azacrown-oxabridged macrocycle: a novel hybrid fluorogenic chemosensor for transition and heavy metal ions.
• Authors of publication: Khan, Faiz Ahmed; Parasuraman, Karuppasamy; Sadhu, Kalyan Kumar
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2009
• Journal volume: 34
• Journal issue: 17
• Pages of publication: 2399 - 2401
• a: 8.2548 ± 0.0011 Å
• b: 18.988 ± 0.003 Å
• c: 20.873 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3271.7 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0938
• Residual factor for significantly intense reflections: 0.0477
• Weighted residual factors for significantly intense reflections: 0.1108
• Weighted residual factors for all reflections included in the refinement: 0.134
• Goodness-of-fit parameter for all reflections included in the refinement: 0.993
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No