Information card for entry 1555435

Structure parameters

• Formula: C22 H16 O4
• Calculated formula: C22 H16 O4
• Title of publication: Synthesis and Study of 7,12,17-Trioxa[11]helicene.
• Authors of publication: Shyam Sundar, M.; Bedekar, Ashutosh V.
• Journal of publication: Organic letters
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 23
• Pages of publication: 5808 - 5811
• a: 23.0883 ± 0.001 Å
• b: 8.2485 ± 0.0004 Å
• c: 17.6035 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3352.5 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0788
• Residual factor for significantly intense reflections: 0.0533
• Weighted residual factors for significantly intense reflections: 0.1055
• Weighted residual factors for all reflections included in the refinement: 0.1179
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No