Information card for entry 7200504

Structure parameters

• Formula: C20 H8 Br N4 O
• Calculated formula: C20 H8 Br N4 O
• Title of publication: Formation and crystal structure of the chiral charge-transfer complex with axially chiral 1,1'-bis-2-naphthol derivatives and tetracyanobenzene
• Authors of publication: Imai, Yoshitane; Kamon, Kensaku; Kido, Shingo; Harada, Takunori; Tajima, Nobuo; Sato, Tomohiro; Kuroda, Reiko; Matsubara, Yoshio
• Journal of publication: CrystEngComm
• Year of publication: 2009
• Journal volume: 11
• Journal issue: 4
• Pages of publication: 620 - 624
• a: 26.349 ± 0.004 Å
• b: 7.3596 ± 0.0011 Å
• c: 8.8067 ± 0.0013 Å
• α: 90°
• β: 101.072 ± 0.002°
• γ: 90°
• Cell volume: 1676 ± 0.4 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0309
• Residual factor for significantly intense reflections: 0.0275
• Weighted residual factors for significantly intense reflections: 0.0577
• Weighted residual factors for all reflections included in the refinement: 0.0641
• Goodness-of-fit parameter for all reflections included in the refinement: 0.987
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No