Information card for entry 4032611

Structure parameters

• Formula: C38.5 H25 Cl O4
• Calculated formula: C38.5 H25 Cl O4
• Title of publication: Naphthazarin-Polycyclic Conjugated Hydrocarbons and Iptycenes.
• Authors of publication: Dengiz, Cagatay; Luppino, Sarah P.; Gutierrez, Gregory D.; Swager, Timothy M.
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2017
• Journal volume: 82
• Journal issue: 14
• Pages of publication: 7470 - 7480
• a: 9.2129 ± 0.0007 Å
• b: 16.459 ± 0.0013 Å
• c: 19.8551 ± 0.0016 Å
• α: 107.842 ± 0.0014°
• β: 98.547 ± 0.0014°
• γ: 98.6723 ± 0.0013°
• Cell volume: 2771.8 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0786
• Residual factor for significantly intense reflections: 0.0497
• Weighted residual factors for significantly intense reflections: 0.1169
• Weighted residual factors for all reflections included in the refinement: 0.1319
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No