Information card for entry 7000317

Structure parameters

• Formula: C164 H204 N4 P4
• Calculated formula: C164 H204 N4 P4
• Title of publication: P,N-Containing cyclophanes with large helical hydrophobic cavities: prospective precursors for the design of a molecular reactor
• Authors of publication: Karasik, A. A.; Kulikov, D. V.; Balueva, A. S.; Ignat'eva, S. N.; Kataeva, O. N.; Lönnecke, P.; Kozlov, A. V.; Latypov, S. K.; Hey-Hawkins, E.; Sinyashin, O. G.
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 3
• Pages of publication: 490 - 494
• a: 15.346 ± 0.001 Å
• b: 19.317 ± 0.001 Å
• c: 26.261 ± 0.001 Å
• α: 80.86 ± 0.01°
• β: 73.85 ± 0.01°
• γ: 76.48 ± 0.01°
• Cell volume: 7233.6 ± 0.8 ų
• Cell temperature: 198 ± 2 K
• Ambient diffraction temperature: 198 ± 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: 0.0969
• Residual factor for significantly intense reflections: 0.0566
• Weighted residual factors for significantly intense reflections: 0.1188
• Weighted residual factors for all reflections included in the refinement: 0.1376
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No