Information card for entry 7233168

Structure parameters

• Formula: C56 H62 N2 O6
• Calculated formula: C55.9985 H61.9965 N2 O6
• Title of publication: Synthesis of upper rim-double-bridged calix[4]arenes bearing seven membered rings and related compounds
• Authors of publication: Tlustý, M.; Eigner, V.; Babor, M.; Kohout, M.; Lhoták, P.
• Journal of publication: RSC Advances
• Year of publication: 2019
• Journal volume: 9
• Journal issue: 38
• Pages of publication: 22017
• a: 12.0248 ± 0.0003 Å
• b: 20.0249 ± 0.0004 Å
• c: 40.0398 ± 0.0009 Å
• α: 90°
• β: 93.8505 ± 0.0012°
• γ: 90°
• Cell volume: 9619.6 ± 0.4 ų
• Cell temperature: 180 K
• Ambient diffraction temperature: 180 K
• Ambient diffracton pressure: 101 kPa
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0733
• Residual factor for significantly intense reflections: 0.0635
• Weighted residual factors for all reflections: 0.1537
• Weighted residual factors for significantly intense reflections: 0.1421
• Weighted residual factors for all reflections included in the refinement: 0.1534
• Goodness-of-fit parameter for all reflections included in the refinement: 0.974
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No