Information card for entry 4025189

Structure parameters

• Formula: C33 H31 N O3
• Calculated formula: C33 H31 N O3
• SMILES: O=C(OC(C)(C)C)N1c2ccccc2C(c2cc(OC)ccc12)=C1C(Cc2ccc3ccccc3c12)C
• Title of publication: Ultrafast Light-Driven Nanomotors Based on an Acridane Stator
• Authors of publication: Artem A. Kulago; Emile M. Mes; Martin Klok; Auke Meetsma; Albert M. Brouwer; Ben L. Feringa
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2010
• Journal volume: 75
• Pages of publication: 666 - 679
• a: 9.02 ± 0.002 Å
• b: 18.831 ± 0.003 Å
• c: 30.265 ± 0.005 Å
• α: 90°
• β: 95.108 ± 0.003°
• γ: 90°
• Cell volume: 5120.3 ± 1.6 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 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: 0.0938
• Residual factor for significantly intense reflections: 0.0502
• Weighted residual factors for significantly intense reflections: 0.1027
• Weighted residual factors for all reflections included in the refinement: 0.1176
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No