Information card for entry 2009731

Structure parameters

• Formula: C11 H8 N4
• Calculated formula: C11 H8 N4
• SMILES: N#C/N=C1\C=C/C(=N\C#N)C2=C1CCC2
• Title of publication: <i>N</i>,<i>N</i>'-Dicyano-4,7-indanquinone diimine
• Authors of publication: Tillmanns, E.; Schwabenländer, F.; Güssregen, S.; Hünig, S.; Metzenthin, T.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1994
• Journal volume: 50
• Journal issue: 5
• Pages of publication: 715 - 717
• a: 4.038 ± 0.001 Å
• b: 12.84 ± 0.003 Å
• c: 9.355 ± 0.002 Å
• α: 90°
• β: 99.91 ± 0.02°
• γ: 90°
• Cell volume: 477.8 ± 0.19 ų
• Cell temperature: 293 K
• Number of distinct elements: 3
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for significantly intense reflections: 0.057
• Goodness-of-fit parameter for significantly intense reflections: 2.7
• Diffraction radiation wavelength: 0.7093 Å
• Diffraction radiation type: Mo
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No