Information card for entry 7702444

Structure parameters

• Common name: 2.7-diazapyrene
• Chemical name: 2,7-Diazapyrene
• Formula: C14 H8 N2
• Calculated formula: C14 H8 N2
• Title of publication: Long-range chain orientation in 1-D co-ordination polymers as a function of anions and intermolecular aromatic interactions
• Authors of publication: Blake, Alexander J.; Baum, Gerhard; Champness, Neil R.; Chung, Simon S. M.; Cooke, Paul A.; Fenske, Dieter; Khlobystov, Andrei N.; Lemenovskii, Dmitrii A.; Li, Wan-Sheung; Schröder, Martin
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2000
• Journal issue: 23
• Pages of publication: 4285
• a: 3.7891 ± 0.0012 Å
• b: 8.0997 ± 0.0016 Å
• c: 15.421 ± 0.004 Å
• α: 90°
• β: 93.96 ± 0.03°
• γ: 90°
• Cell volume: 472.1 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 3
• 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: 0.0484
• Residual factor for significantly intense reflections: 0.0366
• Weighted residual factors for significantly intense reflections: 0.09
• Weighted residual factors for all reflections included in the refinement: 0.1002
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No