Information card for entry 7029217

Structure parameters

• Formula: C30 H32 N2 O2
• Calculated formula: C30 H32 N2 O2
• SMILES: c1(ccncc1)C#Cc1c(cc(c(c1)OC[C@H](CC)C)C#Cc1ccncc1)OC[C@H](CC)C
• Title of publication: Molecular tectonics: enantiomerically pure 1D stair-type mercury coordination networks based on rigid bismonodentate C2-chiral organic tectons.
• Authors of publication: Larpent, Patrick; Jouaiti, Abdelaziz; Kyritsakas, Nathalie; Hosseini, Mir Wais
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 1
• Pages of publication: 166 - 172
• a: 15.097 ± 0.001 Å
• b: 4.9256 ± 0.0003 Å
• c: 17.5598 ± 0.0012 Å
• α: 90°
• β: 100.365 ± 0.002°
• γ: 90°
• Cell volume: 1284.47 ± 0.15 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0831
• Residual factor for significantly intense reflections: 0.0522
• Weighted residual factors for significantly intense reflections: 0.1069
• Weighted residual factors for all reflections included in the refinement: 0.1237
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No