Information card for entry 4035601

Structure parameters

• Formula: C24 H21 N O3
• Calculated formula: C24 H21 N O3
• SMILES: n1(c(c2ccccc2)c(c2c1cccc2)/C(=C1\C(=C(C)C)C(=O)OC1=O)C)C
• Title of publication: Photochromic Indolyl Fulgimides as Chromo-pharmacophores Targeting Sirtuins.
• Authors of publication: Simeth, Nadja A.; Altmann, Lisa-Marie; Wössner, Nathalie; Bauer, Elisabeth; Jung, Manfred; König, Burkhard
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2018
• Journal volume: 83
• Journal issue: 15
• Pages of publication: 7919 - 7927
• a: 10.6727 ± 0.0002 Å
• b: 12.2092 ± 0.0002 Å
• c: 15.0377 ± 0.0002 Å
• α: 90°
• β: 101.465 ± 0.001°
• γ: 90°
• Cell volume: 1920.39 ± 0.05 ų
• Cell temperature: 122.99 ± 0.1 K
• Ambient diffraction temperature: 122.99 ± 0.1 K
• Number of distinct elements: 4
• 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: 0.0436
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for significantly intense reflections: 0.1099
• Weighted residual factors for all reflections included in the refinement: 0.1129
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No