Information card for entry 7152887

Structure parameters

• Formula: C4.11 H3.22 Br0.22 N0.56 O0.06
• Calculated formula: C4.11111 H3.22222 Br0.222222 N0.555556 O0.0555556
• Title of publication: Acridine-based macrocyclic fluorescent sensors: self-assembly behavior characterized by crystal structures and a tunable bathochromic-shift in emission induced by H2PO4(-)via adjusting the ring size and rigidity.
• Authors of publication: Zhang, Dawei; Jiang, Xiaozhi; Yang, Haiqiang; Martinez, Alexandre; Feng, Meiyuan; Dong, Zhiyun; Gao, Guohua
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2013
• Journal volume: 11
• Journal issue: 20
• Pages of publication: 3375 - 3381
• a: 8.8544 ± 0.0015 Å
• b: 11.0995 ± 0.0019 Å
• c: 16.475 ± 0.003 Å
• α: 91.233 ± 0.002°
• β: 90.453 ± 0.002°
• γ: 105.781 ± 0.002°
• Cell volume: 1557.6 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.1144
• Residual factor for significantly intense reflections: 0.063
• Weighted residual factors for significantly intense reflections: 0.1865
• Weighted residual factors for all reflections included in the refinement: 0.2112
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No