Information card for entry 7102117

Structure parameters

• Formula: C35 H36 N2
• Calculated formula: C35 H36 N2
• SMILES: N(C1=C(N([C@H](C)c2ccccc2)[C@H](C)c2ccccc2)[C]1)([C@H](C)c1ccccc1)[C@H](C)c1ccccc1
• Title of publication: A stable chiral diaminocyclopropenylidene.
• Authors of publication: Holschumacher, Dirk; Hrib, Cristian G; Jones, Peter G; Tamm, Matthias
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2007
• Journal issue: 35
• Pages of publication: 3661 - 3663
• a: 8.6057 ± 0.0009 Å
• b: 15.5239 ± 0.0016 Å
• c: 10.5267 ± 0.0011 Å
• α: 90°
• β: 95.728 ± 0.002°
• γ: 90°
• Cell volume: 1399.3 ± 0.3 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0775
• Residual factor for significantly intense reflections: 0.0428
• Weighted residual factors for significantly intense reflections: 0.0715
• Weighted residual factors for all reflections included in the refinement: 0.079
• Goodness-of-fit parameter for all reflections included in the refinement: 0.974
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No