Information card for entry 7150239

Structure parameters

• Common name: 2,5,8,11,14-pentazaz(15)metacyclophane pentahydrochloride monohydrate
• Chemical name: 2,5,8,11,14-pentazaz[15]metacyclophane pentahydrochloride monohydrate
• Formula: C16 H38 Cl5 N5 O
• Calculated formula: C16 H32 Cl5 N5 O
• Title of publication: Polyaza metacyclophanes as ditopic anion receptors.
• Authors of publication: Ilioudis, Christos A.; Steed, Jonathan W.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2005
• Journal volume: 3
• Journal issue: 16
• Pages of publication: 2935 - 2945
• a: 9.862 ± 0.002 Å
• b: 10.525 ± 0.002 Å
• c: 12.113 ± 0.002 Å
• α: 97.654 ± 0.002°
• β: 100.99 ± 0.002°
• γ: 103.968 ± 0.003°
• Cell volume: 1176.4 ± 0.4 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0655
• Residual factor for significantly intense reflections: 0.0434
• Weighted residual factors for significantly intense reflections: 0.093
• Weighted residual factors for all reflections included in the refinement: 0.1029
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No