Information card for entry 7204719

Structure parameters

• Formula: C63 H66 N4 O9
• Calculated formula: C63 H65 N4 O9
• Title of publication: Novel layered structures of the crystals based on C-methylcalix[4]resorcinarene formed at high temperatureElectronic supplementary information (ESI) available: Structures of compounds 8, 9, 10 and 12 (4 figures). See http://www.rsc.org/suppdata/ce/b3/b307471d/
• Authors of publication: Nakamura, A.; Sato, T.; Kuroda, R.
• Journal of publication: CrystEngComm
• Year of publication: 2003
• Journal volume: 5
• Journal issue: 56
• Pages of publication: 318
• a: 20.7807 ± 0.0017 Å
• b: 16.339 ± 0.0014 Å
• c: 15.4817 ± 0.0013 Å
• α: 90°
• β: 98.073 ± 0.002°
• γ: 90°
• Cell volume: 5204.5 ± 0.8 ų
• Cell temperature: 116 ± 2 K
• Ambient diffraction temperature: 116 ± 2 K
• 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: 0.0942
• Residual factor for significantly intense reflections: 0.0565
• Weighted residual factors for significantly intense reflections: 0.146
• Weighted residual factors for all reflections included in the refinement: 0.1701
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No