Information card for entry 7107716

Structure parameters

• Formula: C24 H17 N
• Calculated formula: C24 H17 N
• SMILES: n1ccccc1c1ccc(C)c2c1c1c(cc2)ccc2c1cccc2
• Title of publication: Preparation and Characterisation of [6]-Azaosmahelicenes: The First d4-Heterometallahelicenes
• Authors of publication: Olga Crespo; Beatriz Eguillor; Miguel A. Esteruelas; Israel Fernandez; Jorge Garcia-Raboso; Mar Gomez-Gallego; Mamen Martin-Ortiz; Montserrat Olivan; Miguel A. Sierra
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 5328 - 5330
• a: 6.1897 ± 0.0006 Å
• b: 11.9527 ± 0.0011 Å
• c: 21.87 ± 0.002 Å
• α: 90°
• β: 93.201 ± 0.001°
• γ: 90°
• Cell volume: 1615.5 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0753
• Residual factor for significantly intense reflections: 0.0418
• Weighted residual factors for significantly intense reflections: 0.0872
• Weighted residual factors for all reflections included in the refinement: 0.0971
• Goodness-of-fit parameter for all reflections included in the refinement: 0.896
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No