Information card for entry 7238889

Structure parameters

• Formula: C38 H30 Br2 N4 O2
• Calculated formula: C38 H30 Br2 N4 O2
• Title of publication: Interplay of monomer, intra- and intermolecular excimer fluorescence in cyclophanes and selective recognition of methanol vapours
• Authors of publication: Nandajan, Paramjyothi C.; Neelakandan, Prakash P.; Ramaiah, Danaboyina
• Journal of publication: RSC Advances
• Year of publication: 2013
• Journal volume: 3
• Journal issue: 16
• Pages of publication: 5624
• a: 8.3588 ± 0.0002 Å
• b: 10.3505 ± 0.0003 Å
• c: 10.9632 ± 0.0003 Å
• α: 63.8699 ± 0.0015°
• β: 84.6098 ± 0.0015°
• γ: 83.0969 ± 0.0016°
• Cell volume: 844.5 ± 0.04 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0844
• Residual factor for significantly intense reflections: 0.0786
• Weighted residual factors for significantly intense reflections: 0.2179
• Weighted residual factors for all reflections included in the refinement: 0.2278
• Goodness-of-fit parameter for all reflections included in the refinement: 1.098
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No