Information card for entry 7064077

Structure parameters

• Formula: C21 H27 Cl N2 O
• Calculated formula: C21 H27 Cl N2 O
• Title of publication: Expanded ring 1,3,5-oxadiazinan-4-ylidene complexes: synthesis and catalysis
• Authors of publication: Isaeva, Dilshodakhon K.; Topchiy, Maxim A.; Drokin, Egor A.; Rasskazova, Mariya A.; Minaeva, Lidiya I.; Smol’yakov, Alexander F.; Asachenko, Andrey F.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2025
• Journal volume: 49
• Journal issue: 46
• Pages of publication: 20073 - 20080
• a: 9.1103 ± 0.0011 Å
• b: 13.9656 ± 0.0017 Å
• c: 15.3213 ± 0.0018 Å
• α: 90°
• β: 100.211 ± 0.005°
• γ: 90°
• Cell volume: 1918.5 ± 0.4 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 5
• 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: 0.0629
• Residual factor for significantly intense reflections: 0.0421
• Weighted residual factors for significantly intense reflections: 0.102
• Weighted residual factors for all reflections included in the refinement: 0.1107
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No