Information card for entry 7227634

Structure parameters

• Formula: C23 H28 N2 O
• Calculated formula: C23 H28 N2 O
• SMILES: N1(C(=O)/C(=N\c2c(cccc2C(C)C)C(C)C)c2c1c(ccc2C)C)C
• Title of publication: Conformational stabilization of isatin Schiff bases ‒ biologically active chemical probes
• Authors of publication: Smirnov, Andrey S.; Nikolaev, Dmitriy N.; Gurzhiy, Vlad V.; Smirnov, Sergey N.; Suslonov, Vitaliy S.; Garabadzhiu, Alexander V.; Davidovich, Pavel B.
• Journal of publication: RSC Adv.
• Year of publication: 2017
• Journal volume: 7
• Journal issue: 17
• Pages of publication: 10070
• a: 8.5182 ± 0.0006 Å
• b: 29.4795 ± 0.0014 Å
• c: 8.4782 ± 0.0005 Å
• α: 90°
• β: 115.15 ± 0.008°
• γ: 90°
• Cell volume: 1927.1 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0598
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for significantly intense reflections: 0.0994
• Weighted residual factors for all reflections included in the refinement: 0.1053
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No