Information card for entry 1555823

Structure parameters

• Formula: C23 H21 Br2 N2 O
• Calculated formula: C23 H12 Br2 N2 O
• SMILES: Brc1c2C3(c4cccnc4c4ncccc34)c3ccc(Br)cc3Oc2ccc1
• Title of publication: Carbon Cationic Relay via Superelectrophiles: Synthesis of Spiro-diazafluorenes.
• Authors of publication: Lin, Dongqing; Wei, Ying; Ou, Changjin; Huang, Hao; Xie, Linghai; Tang, Lei; Huang, Wei
• Journal of publication: Organic letters
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 24
• Pages of publication: 6220 - 6223
• a: 16.6039 ± 0.0015 Å
• b: 12.5136 ± 0.0011 Å
• c: 9.0084 ± 0.0008 Å
• α: 90°
• β: 101.188 ± 0.0018°
• γ: 90°
• Cell volume: 1836.1 ± 0.3 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.1043
• Residual factor for significantly intense reflections: 0.0871
• Weighted residual factors for significantly intense reflections: 0.1733
• Weighted residual factors for all reflections included in the refinement: 0.1823
• Goodness-of-fit parameter for all reflections included in the refinement: 1.148
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No