Information card for entry 7013651

Structure parameters

• Formula: C15 H18 N2
• Calculated formula: C15 H18 N2
• SMILES: [nH]1c(C(=N\c2c(cc(cc2C)C)C)\C)ccc1
• Title of publication: Synthesis of allyl- and aryl-iminopyrrolyl complexes of nickel
• Authors of publication: Bellabarba, Ronan M.; Gomes, Pedro T.; Pascu, Sofia I.
• Journal of publication: Dalton Transactions
• Year of publication: 2003
• Journal issue: 23
• Pages of publication: 4431 - 4436
• a: 7.1279 ± 0.0002 Å
• b: 15.0718 ± 0.0004 Å
• c: 12.4133 ± 0.0003 Å
• α: 90°
• β: 92.6733 ± 0.0012°
• γ: 90°
• Cell volume: 1332.11 ± 0.06 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.053
• Weighted residual factors for all reflections included in the refinement: 0.0575
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0367
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No