Information card for entry 4129520

Structure parameters

• Chemical name: Monoclinic
• Formula: C34 H24 O4
• Calculated formula: C34 H24 O4
• Title of publication: The Missing C1-C5 Cycloaromatization Reaction: Triplet State Antiaromaticity Relief and Self-Terminating Photorelease of Formaldehyde for Synthesis of Fulvenes from Enynes.
• Authors of publication: Mohamed, Rana K.; Mondal, Sayantan; Jorner, Kjell; Delgado, Thais Faria; Lobodin, Vladislav V.; Ottosson, Henrik; Alabugin, Igor V.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2015
• Journal volume: 137
• Journal issue: 49
• Pages of publication: 15441 - 15450
• a: 8.7038 ± 0.0008 Å
• b: 6.1582 ± 0.0005 Å
• c: 22.188 ± 0.002 Å
• α: 90°
• β: 95.781 ± 0.002°
• γ: 90°
• Cell volume: 1183.22 ± 0.18 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173.01 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: 0.0651
• Residual factor for significantly intense reflections: 0.0454
• Weighted residual factors for significantly intense reflections: 0.1089
• Weighted residual factors for all reflections included in the refinement: 0.12
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No