Information card for entry 4021903

Structure parameters

• Formula: C71 H72 Cl2 O8
• Calculated formula: C71 H72 Cl2 O8
• SMILES: ClCCl.O(c1c(c2c(OCCCC)c(OCc3ccccc3)cc3ccccc23)c2c(c(c3c4c(c(c(OCCCC)c3O)c3c5c(cccc5)cc(OCc5ccccc5)c3OCCCC)cccc4)c1O)cccc2)CCCC
• Title of publication: Bottom-Up Synthesis of Optically Active Oligonaphthalenes: Three Different Pathways for Controlling Axial Chirality
• Authors of publication: Kazunori Tsubaki; Hiroyuki Tanaka; Kazuto Takaishi; Masaya Miura; Hiroshi Morikawa; Takumi Furuta; Kiyoshi Tanaka; Kaoru Fuji; Takahiro Sasamori; Norihiro Tokitoh; Takeo Kawabata
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2006
• Journal volume: 71
• Pages of publication: 6579 - 6587
• a: 9.0546 ± 0.001 Å
• b: 23.673 ± 0.002 Å
• c: 14.153 ± 0.002 Å
• α: 90°
• β: 104.083 ± 0.005°
• γ: 90°
• Cell volume: 2942.4 ± 0.6 ų
• Cell temperature: 93.1 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for significantly intense reflections: 0.054
• Weighted residual factors for all reflections included in the refinement: 0.146
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No