Information card for entry 7202394

Structure parameters

• Formula: C43 H54 N6 O8 S2
• Calculated formula: C43 H54 N6 O8 S2
• Title of publication: Hydrogen-bonding tectons for the construction of bimolecular framework materials
• Authors of publication: Hamblin, Jacqueline; Argent, Stephen P.; Blake, Alexander J.; Wilson, Claire; Champness, Neil R.
• Journal of publication: CrystEngComm
• Year of publication: 2008
• Journal volume: 10
• Journal issue: 12
• Pages of publication: 1782
• a: 11.9327 ± 0.0012 Å
• b: 13.0281 ± 0.0013 Å
• c: 15.8112 ± 0.0015 Å
• α: 85.17 ± 0.002°
• β: 74.302 ± 0.002°
• γ: 65.333 ± 0.002°
• Cell volume: 2149.2 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0633
• Residual factor for significantly intense reflections: 0.0436
• Weighted residual factors for significantly intense reflections: 0.12
• Weighted residual factors for all reflections included in the refinement: 0.131
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No