Information card for entry 7204723

Structure parameters

• Formula: C42.75 H41.25 N2 O5.25
• Calculated formula: C42.75 H41.5 N2 O5.25
• 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: 11.1453 ± 0.0005 Å
• b: 24.728 ± 0.0012 Å
• c: 13.097 ± 0.0006 Å
• α: 90°
• β: 102.415 ± 0.001°
• γ: 90°
• Cell volume: 3525.1 ± 0.3 ų
• Cell temperature: 116 ± 2 K
• Ambient diffraction temperature: 116 ± 2 K
• Number of distinct elements: 4
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.0911
• Residual factor for significantly intense reflections: 0.0774
• Weighted residual factors for significantly intense reflections: 0.2096
• Weighted residual factors for all reflections included in the refinement: 0.2236
• Goodness-of-fit parameter for all reflections included in the refinement: 0.916
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No