Information card for entry 2213481

Structure parameters

• Chemical name: 3-Morpholino-8,8-dicyanoheptafulvene
• Formula: C14 H13 N3 O
• Calculated formula: C14 H13 N3 O
• SMILES: O1CCN(C2=CC=CC(=C(C#N)C#N)C=C2)CC1
• Title of publication: 3-Morpholino-8,8-dicyanoheptafulvene
• Authors of publication: Kubo, Kanji; Matsumoto, Taisuke; Mori, Akira; Takeshita, Hitoshi
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 5
• Pages of publication: o2694 - o2694
• a: 17.211 ± 0.006 Å
• b: 9.616 ± 0.003 Å
• c: 15.654 ± 0.006 Å
• α: 90°
• β: 111.716 ± 0.0015°
• γ: 90°
• Cell volume: 2406.9 ± 1.5 ų
• Cell temperature: 123.1 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.0631
• Weighted residual factors for all reflections included in the refinement: 0.1631
• Goodness-of-fit parameter for all reflections included in the refinement: 1.183
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes