Information card for entry 1507007

Structure parameters

• Formula: C89 H81 Br N8 O9
• Calculated formula: C87.885 H36.5 Br0.9 N8 O8.7575
• Title of publication: Oligobisvelcraplex: self-assembled linear oligomer by solvophobic pi-pistacking interaction of bisvelcrands based on resorcin[4]arene.
• Authors of publication: Ihm, Hyejae; Ahn, Jae-Suk; Lah, Myoung Soo; Ko, Young Ho; Paek, Kyungsoo
• Journal of publication: Organic letters
• Year of publication: 2004
• Journal volume: 6
• Journal issue: 22
• Pages of publication: 3893 - 3896
• a: 36.82 ± 0.003 Å
• b: 29.693 ± 0.003 Å
• c: 38.2 ± 0.003 Å
• α: 90°
• β: 113.646 ± 0.002°
• γ: 90°
• Cell volume: 38257 ± 6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.4691
• Residual factor for significantly intense reflections: 0.2233
• Weighted residual factors for significantly intense reflections: 0.5004
• Weighted residual factors for all reflections included in the refinement: 0.5895
• Goodness-of-fit parameter for all reflections included in the refinement: 1.296
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No