Information card for entry 4119714

Structure parameters

• Formula: C37 H24 O
• Calculated formula: C37 H24 O
• SMILES: O=C1/C(c2c3c4c5ccccc5ccc4ccc3ccc2C=C1)=C/C=C(c1ccccc1)c1ccccc1
• Title of publication: Helicity as a Steric Force: Stabilization and Helicity-Dependent Reversion of Coloredo-Quinonoid Intermediates of Helical Chromenes
• Authors of publication: Jarugu Narasimha Moorthy; Susovan Mandal; Arindam Mukhopadhyay; Subhas Samanta
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2013
• Journal volume: 135
• Pages of publication: 6872 - 6884
• a: 9.923 Å
• b: 18.34 Å
• c: 14.072 Å
• α: 90°
• β: 104.78°
• γ: 90°
• Cell volume: 2476.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.112
• Residual factor for significantly intense reflections: 0.0749
• Weighted residual factors for significantly intense reflections: 0.1816
• Weighted residual factors for all reflections included in the refinement: 0.2433
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No