Information card for entry 4026685

Structure parameters

• Formula: C18 H20 Br3 O2
• Calculated formula: C18 H20 Br3 O2
• Title of publication: Electrophilic Transannular Cyclization of Octadehydrodibenzo[12]annulene Reexamined: Indication of the Formation of Both anti- and syn-Indenofluorenes
• Authors of publication: Takashi Takeda; Koji Inukai; Kazukuni Tahara; Yoshito Tobe
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2011
• Journal volume: 76
• Pages of publication: 9116 - 9121
• a: 10.0389 ± 0.0012 Å
• b: 11.3271 ± 0.0016 Å
• c: 16.24 ± 0.002 Å
• α: 90°
• β: 91.606 ± 0.005°
• γ: 90°
• Cell volume: 1846 ± 0.4 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.054
• Residual factor for significantly intense reflections: 0.0408
• Weighted residual factors for significantly intense reflections: 0.0952
• Weighted residual factors for all reflections included in the refinement: 0.1053
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No