Information card for entry 7131365

Structure parameters

• Chemical name: N-(cyclohexylmethyl)-3,5-bis(5-hydroxy-4-(hydroxymethyl)pent-1-yn-1-yl)benzamide
• Formula: C26 H35 N O5
• Calculated formula: C26 H35 N O5
• Title of publication: Self-assembled anion channel formation by bis(1,3-propanediol)-linked <i>meta</i>-dipropynylbenzene-based small molecules.
• Authors of publication: Sharma, Rashmi; Vijay, Amal; Chattopadhayay, Sandip; Mukherjee, Arnab; Talukdar, Pinaki
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2023
• Journal volume: 59
• Journal issue: 24
• Pages of publication: 3602 - 3605
• a: 5.146 ± 0.002 Å
• b: 11.099 ± 0.005 Å
• c: 20.771 ± 0.008 Å
• α: 82.17 ± 0.03°
• β: 85.54 ± 0.03°
• γ: 88.37 ± 0.03°
• Cell volume: 1171.5 ± 0.8 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: 0.2521
• Residual factor for significantly intense reflections: 0.139
• Weighted residual factors for significantly intense reflections: 0.3637
• Weighted residual factors for all reflections included in the refinement: 0.4229
• Goodness-of-fit parameter for all reflections included in the refinement: 1.341
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No