Information card for entry 7111204

Structure parameters

• Chemical name: 2-[9-(10'-methyl-9',10'-dihydro-acridin-9'-yl)-9H-fluoren-9-yl]-malononitrile
• Formula: C30 H21 N3
• Calculated formula: C30 H21 N3
• SMILES: c1cccc2c3ccccc3C(c12)(C(C#N)C#N)C1c2c(N(c3ccccc13)C)cccc2
• Title of publication: Novel photo-induced coupling reaction of 9-fluorenylidenemalononitrile with 10-methyl-9,10-dihydroacridine
• Authors of publication: Jiang, Hong; Liu, You-Cheng; Li, Jing; Wang, Guan-Wu; Wu, Yun-Dong; Wang, Quan-Ming; Mak, Thomas C. W.
• Journal of publication: Chemical Communications
• Year of publication: 2002
• Journal issue: 8
• Pages of publication: 882
• a: 9.7538 ± 0.0005 Å
• b: 9.4805 ± 0.0005 Å
• c: 24.4914 ± 0.0013 Å
• α: 90°
• β: 95.071 ± 0.001°
• γ: 90°
• Cell volume: 2255.9 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0828
• Residual factor for significantly intense reflections: 0.0412
• Weighted residual factors for significantly intense reflections: 0.0938
• Weighted residual factors for all reflections included in the refinement: 0.1064
• Goodness-of-fit parameter for all reflections included in the refinement: 0.891
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No