Information card for entry 1567345

Structure parameters

• Formula: C24 H16
• Calculated formula: C24 H16
• SMILES: c1cc2c3c(cccc3c1)[C@H]1[C@@H]2[C@@H]2c3c4c(cccc4ccc3)[C@H]12
• Title of publication: Photomechanochemical control over stereoselectivity in the [2 + 2] photodimerization of acenaphthylene.
• Authors of publication: Biswas, Sankarsan; Banerjee, Sayan; Shlain, Milan A.; Bardin, Andrey A.; Ulijn, Rein V.; Nannenga, Brent L.; Rappe, Andrew M.; Braunschweig, Adam B.
• Journal of publication: Faraday discussions
• Year of publication: 2023
• Journal volume: 241
• Journal issue: 0
• Pages of publication: 266 - 277
• a: 7.72 ± 0.002 Å
• b: 4.78 ± 0.002 Å
• c: 19.85 ± 0.004 Å
• α: 90 ± 0.03°
• β: 92.22 ± 0.03°
• γ: 90 ± 0.03°
• Cell volume: 731.9 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 2
• 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: 0.2738
• Residual factor for significantly intense reflections: 0.2174
• Weighted residual factors for significantly intense reflections: 0.4281
• Weighted residual factors for all reflections included in the refinement: 0.472
• Goodness-of-fit parameter for all reflections included in the refinement: 1.376
• Diffraction radiation wavelength: 0.019687 Å
• Diffraction radiation type: 300keVelectrons
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No