Information card for entry 2241999

Structure parameters

• Chemical name: 22,24,25-Trimethyl-8,11,14-trioxa-25-azatetracyclo[19.3.1.0^2,7^.0^15,20^]pentacosa-2,4,6,15(20),16,18-hexaen-23-one
• Formula: C24 H29 N O4
• Calculated formula: C24 H29 N O4
• SMILES: [C@H]12c3ccccc3OCCOCCOc3c([C@@H](N2C)[C@H](C(=O)[C@H]1C)C)cccc3
• Title of publication: Crystal structure of 22,24,25-trimethyl-8,11,14-trioxa-25-azatetracyclo[19.3.1.0^2,7^.0^15,20^]pentacosa-2,4,6,15(20),16,18-hexaen-23-one
• Authors of publication: Nguyen, Van Tuyen; Truong, Hong Hieu; Le, Tuan Anh; Soldatenkov, Anatoly T.; Thi, Tuyet Anh Dang; Tran, Thi Thanh Van; Esina, Natalia Ya.; Khrustalev, Victor N.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2017
• Journal volume: 73
• Journal issue: 2
• Pages of publication: 118 - 121
• a: 8.1468 ± 0.0005 Å
• b: 20.3402 ± 0.0011 Å
• c: 12.0155 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1991.1 ± 0.2 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.076
• Residual factor for significantly intense reflections: 0.0561
• Weighted residual factors for significantly intense reflections: 0.1197
• Weighted residual factors for all reflections included in the refinement: 0.1298
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes