Information card for entry 1512035

Structure parameters

• Formula: C36 H42 O2
• Calculated formula: C36 H42 O2
• SMILES: CCCCCCCCc1cc2ccc3c4c2c(c1)oc1c4c2c(o3)cc(cc2cc1)CCCCCCCC
• Title of publication: Synthesis, Properties, and Structures of Functionalizedperi-Xanthenoxanthene
• Authors of publication: Lv, Na; Xie, Meilan; Gu, Weibing; Ruan, Huanyang; Qiu, Song; Zhou, Chunshan; Cui, Zheng
• Journal of publication: Organic Letters
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 10
• Pages of publication: 2382
• a: 18.314 ± 0.012 Å
• b: 4.669 ± 0.003 Å
• c: 16.383 ± 0.011 Å
• α: 90°
• β: 92.828 ± 0.011°
• γ: 90°
• Cell volume: 1399.2 ± 1.6 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1058
• Residual factor for significantly intense reflections: 0.0756
• Weighted residual factors for significantly intense reflections: 0.202
• Weighted residual factors for all reflections included in the refinement: 0.2312
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No