Information card for entry 4038732

Structure parameters

• Formula: C24 H36 N5 P
• Calculated formula: C24 H36 N5 P
• Title of publication: Ring Enlargement of <i>N</i>-Phosphanyl-1,2,3,4-tetrahydroquinazolines.
• Authors of publication: Marchenko, Anatoliy; Koidan, Georgyi; Hurieva, Anastasiia N.; Shishkina, Svitlana; Rusanov, Eduard; Kostyuk, Aleksandr
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2020
• a: 11.7479 ± 0.0004 Å
• b: 13.1447 ± 0.0004 Å
• c: 16.1419 ± 0.0006 Å
• α: 90°
• β: 108.509 ± 0.004°
• γ: 90°
• Cell volume: 2363.74 ± 0.15 ų
• Cell temperature: 294 K
• Ambient diffraction temperature: 294 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: 0.0672
• Residual factor for significantly intense reflections: 0.0498
• Weighted residual factors for significantly intense reflections: 0.1147
• Weighted residual factors for all reflections included in the refinement: 0.1238
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No