Information card for entry 7130633

Structure parameters

• Formula: C25 H12 Br4 N
• Calculated formula: C25 H12 Br4 N
• SMILES: Brc1cc2c3cc(Br)ccc3[N](=C3c4ccc(cc4c4cc(Br)ccc34)Br)c2cc1
• Title of publication: Photo-induced metal-free dehydrogenative N-N homo-coupling.
• Authors of publication: Balakrishna, Bugga; Mossin, Susanne; Kramer, Søren
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2022
• Journal volume: 58
• Journal issue: 78
• Pages of publication: 10977 - 10980
• a: 10.5392 ± 0.0007 Å
• b: 14.9833 ± 0.0009 Å
• c: 27.796 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4389.3 ± 0.5 ų
• Cell temperature: 120 ± 0.1 K
• Ambient diffraction temperature: 120 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0882
• Residual factor for significantly intense reflections: 0.0516
• Weighted residual factors for significantly intense reflections: 0.1052
• Weighted residual factors for all reflections included in the refinement: 0.1216
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No