Information card for entry 1520555

Structure parameters

• Common name: cis-di(4-pyridyl)naphthocyclobutane hydrobromide
• Chemical name: cis-di(4-pyridyl)naphthocyclobutane hydrobromide
• Formula: C24 H20 Br2 N2
• Calculated formula: C24 H20 Br2 N2
• Title of publication: Intramolecular [2 + 2] Photodimerization Achieved in the Solid State via Coordination-Driven Self-Assembly.
• Authors of publication: Laird, Rebecca C.; Sinnwell, Michael A.; Nguyen, Nam P.; Swenson, Dale C.; Mariappan, S. V. Santhana; MacGillivray, Leonard R.
• Journal of publication: Organic letters
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 13
• Pages of publication: 3233 - 3235
• a: 16.3504 ± 0.0016 Å
• b: 14.9527 ± 0.0015 Å
• c: 9.2389 ± 0.0009 Å
• α: 90°
• β: 92.387 ± 0.005°
• γ: 90°
• Cell volume: 2256.8 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0698
• Residual factor for significantly intense reflections: 0.0606
• Weighted residual factors for significantly intense reflections: 0.1346
• Weighted residual factors for all reflections included in the refinement: 0.1375
• Goodness-of-fit parameter for all reflections included in the refinement: 1.22
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No