Information card for entry 2006492

Structure parameters

• Formula: C45 H41 N5 O7
• Calculated formula: C45 H41 N5 O7
• SMILES: [O-]c1c(cc(N(=O)=O)cc1N(=O)=O)N(=O)=O.N1(C(C(c2cc(ccc12)\C=C/c1ccccc1)(C)C)=CC1=[N+](c2ccc(cc2C1(C)C)/C=C\c1ccccc1)C)C
• Title of publication: 1,3,3-Trimethyl-5-styryl-2-[(1,3,3-trimethyl-5-styryl-2-indolinylidene)methyl]-3<i>H</i>-indolinium Picrate: an Extended Trichromophoric System
• Authors of publication: Johannes, Hans-Hermann; Grahn, Walter; Dix, Ina; Jones, Peter G.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1997
• Journal volume: 53
• Journal issue: 9
• Pages of publication: 1363 - 1366
• a: 11.697 ± 0.006 Å
• b: 12.788 ± 0.007 Å
• c: 14.138 ± 0.007 Å
• α: 99.72 ± 0.04°
• β: 100.14 ± 0.04°
• γ: 109.04 ± 0.03°
• Cell volume: 1908.8 ± 1.8 ų
• Cell temperature: 143 ± 2 K
• Ambient diffraction temperature: 143 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.158
• Residual factor for significantly intense reflections: 0.071
• Weighted residual factors for all reflections: 0.145
• Weighted residual factors for significantly intense reflections: 0.11
• Goodness-of-fit parameter for all reflections: 1.041
• Goodness-of-fit parameter for significantly intense reflections: 1.123
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No