Information card for entry 4032769

Structure parameters

• Formula: C37 H48 O4
• Calculated formula: C37 H48 O4
• SMILES: c1(cc2ccc(c(c2cc1)Cc1c(ccc2cc(ccc12)OCCCC)OCCCC)OCCCC)OCCCC
• Title of publication: Regioselective Synthesis of Methylene-Bridged Naphthalene Oligomers and Their Host-Guest Chemistry.
• Authors of publication: Pan, San-Jiang; Ye, Gang; Jia, Fei; He, Zhenfeng; Ke, Hua; Yao, Huan; Fan, Zhi; Jiang, Wei
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2017
• Journal volume: 82
• Journal issue: 18
• Pages of publication: 9570 - 9575
• a: 9.2936 ± 0.0004 Å
• b: 10.1589 ± 0.0004 Å
• c: 17.9869 ± 0.0007 Å
• α: 85.729 ± 0.001°
• β: 79.759 ± 0.002°
• γ: 70.5 ± 0.002°
• Cell volume: 1575.07 ± 0.11 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0428
• Residual factor for significantly intense reflections: 0.0366
• Weighted residual factors for significantly intense reflections: 0.0945
• Weighted residual factors for all reflections included in the refinement: 0.0992
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No