Information card for entry 7204722

Structure parameters

• Formula: C62 H50 N3 O8
• Calculated formula: C62 H50 N3 O8
• 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: 10.3752 ± 0.0005 Å
• b: 12.2621 ± 0.0006 Å
• c: 20.1337 ± 0.001 Å
• α: 95.181 ± 0.001°
• β: 103.948 ± 0.001°
• γ: 94.166 ± 0.001°
• Cell volume: 2463.9 ± 0.2 ų
• Cell temperature: 116 ± 2 K
• Ambient diffraction temperature: 116 ± 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: 0.0656
• Residual factor for significantly intense reflections: 0.0538
• Weighted residual factors for significantly intense reflections: 0.1272
• Weighted residual factors for all reflections included in the refinement: 0.1354
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No