Information card for entry 7124893

Structure parameters

• Formula: C20 H16 Br N2 O2
• Calculated formula: C20 H16 Br N2 O2
• Title of publication: Highly fluorescent 1,2-dihydropyrimido[1,6-α]indole: an efficient metal free synthesis and photophysical study.
• Authors of publication: Das, Tapas; Kayet, Anirban; Mishra, Ruchika; Singh, Vinod K.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2016
• Journal volume: 52
• Journal issue: 75
• Pages of publication: 11231 - 11234
• a: 21 ± 0.0018 Å
• b: 7.6152 ± 0.0006 Å
• c: 23.7899 ± 0.0019 Å
• α: 90°
• β: 112.403 ± 0.002°
• γ: 90°
• Cell volume: 3517.3 ± 0.5 ų
• Cell temperature: 179 ± 2 K
• Ambient diffraction temperature: 179 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0917
• Residual factor for significantly intense reflections: 0.0495
• Weighted residual factors for significantly intense reflections: 0.094
• Weighted residual factors for all reflections included in the refinement: 0.1062
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No