Information card for entry 4027286

Structure parameters

• Formula: C26 H19 N O2
• Calculated formula: C26 H19 N O2
• SMILES: O=C1N(C(C)(C)C)C(=O)c2ccc3c4cccc5cccc(c6ccc1c2c36)c45
• Title of publication: Noncovalent Control of Absorption and Fluorescence Spectra
• Authors of publication: Heinz Langhals; Christian Dietl; Andreas Zimpel; Peter Mayer
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2012
• Journal volume: 77
• Pages of publication: 5965 - 5970
• a: 11.4395 ± 0.0016 Å
• b: 10.344 ± 0.0014 Å
• c: 29.606 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3503.3 ± 0.8 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1209
• Residual factor for significantly intense reflections: 0.0605
• Weighted residual factors for significantly intense reflections: 0.1142
• Weighted residual factors for all reflections included in the refinement: 0.137
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No