Information card for entry 1516583

Structure parameters

• Formula: C24 H8 O2
• Calculated formula: C24 H8 O2
• SMILES: c1cc2oc3c4c2c2c1oc1c2c2c(cc1)oc1c2c2c4c(cc3)oc2cc1
• Title of publication: Heteroatom-bridged tetraphenylenes: synthesis, structures, and properties.
• Authors of publication: Xiong, Xiao-Dong; Deng, Chun-Lin; Peng, Xiao-Shui; Miao, Qian; Wong, Henry N. C.
• Journal of publication: Organic letters
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 12
• Pages of publication: 3252 - 3255
• a: 12.3385 ± 0.0012 Å
• b: 15.6948 ± 0.0015 Å
• c: 3.8193 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 739.61 ± 0.13 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 3
• Space group number: 59
• Hermann-Mauguin space group symbol: P m m n :2
• Hall space group symbol: -P 2ab 2a
• Residual factor for all reflections: 0.0677
• Residual factor for significantly intense reflections: 0.0614
• Weighted residual factors for significantly intense reflections: 0.1671
• Weighted residual factors for all reflections included in the refinement: 0.1747
• 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