Information card for entry 2227685

Structure parameters

• Chemical name: 1'-(4-Bromophenyl)-4'-{4-[(2-oxo-1,2,3,4-tetrahydronaphthalen-2- ylidene)methyl]phenyl}-3'',4''-dihydroacenaphthylene-1-spiro-2'-pyrrolidine- 3'-spiro-2''-naphthalene-2,1''(1<i>H</i>,2''<i>H</i>)-dione
• Formula: C47 H34 Br N O3
• Calculated formula: C47 H34 Br N O3
• SMILES: Brc1ccc(N2[C@]3([C@@]4([C@H](c5ccc(/C=C\6C(=O)c7ccccc7CC6)cc5)C2)CCc2ccccc2C4=O)c2cccc4cccc(c24)C3=O)cc1.Brc1ccc(N2[C@@]3([C@]4([C@@H](c5ccc(/C=C\6C(=O)c7ccccc7CC6)cc5)C2)CCc2ccccc2C4=O)c2cccc4cccc(c24)C3=O)cc1
• Title of publication: 1'-(4-Bromophenyl)-4'-{4-[(2-oxo-1,2,3,4-tetrahydronaphthalen-2-ylidene)methyl]phenyl}-3'',4''-dihydroacenaphthylene-1-spiro-2'-pyrrolidine-3'-spiro-2''-naphthalene-2,1''(1<i>H</i>,2''<i>H</i>)-dione
• Authors of publication: Saravanan, B.; Rajesh, R.; Raghunathan, R.; Chakkaravarthi, G.; Manivannan, V.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 11
• Pages of publication: o2801
• a: 8.4178 ± 0.0002 Å
• b: 13.2352 ± 0.0003 Å
• c: 15.961 ± 0.0003 Å
• α: 98.143 ± 0.001°
• β: 92.744 ± 0.002°
• γ: 100.944 ± 0.001°
• Cell volume: 1723.17 ± 0.07 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.0637
• Residual factor for significantly intense reflections: 0.0374
• Weighted residual factors for significantly intense reflections: 0.0872
• Weighted residual factors for all reflections included in the refinement: 0.0975
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes