Information card for entry 7204032

Structure parameters

• Formula: C18 H27 I N2 O2
• Calculated formula: C18 H27 I N2 O1.5
• SMILES: [I-].[n+]1(C)ccc(cc1)/C=C/c1ccc(N(CC)CC)cc1.O.O
• Title of publication: Two-photon pumped lasing stilbene-type chromophores containing various terminal donor groups: relationship between lasing efficiency and intramolecular charge transfer
• Authors of publication: Wang, Xiao-Mei; Zhou, Yu-Fang; Yu, Wen-Tao; Wang, Chun; Fang, Qi; Jiang, Min-Hua; Lei, Hong; Wang, He-Zhou
• Journal of publication: Journal of Materials Chemistry
• Year of publication: 2000
• Journal volume: 10
• Journal issue: 12
• Pages of publication: 2698
• a: 21.438 ± 0.0012 Å
• b: 14.9682 ± 0.0011 Å
• c: 14.0446 ± 0.001 Å
• α: 90°
• β: 119.257 ± 0.004°
• γ: 90°
• Cell volume: 3931.9 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0709
• Residual factor for significantly intense reflections: 0.0451
• Weighted residual factors for significantly intense reflections: 0.1077
• Weighted residual factors for all reflections included in the refinement: 0.124
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No