Information card for entry 1507466

Structure parameters

• Formula: C29 H38 N2
• Calculated formula: C29 H38 N2
• SMILES: N#N=C(c1ccccc1)c1c2c(cc3c1C(C)(C)CCC3(C)C)C(C)(CCC2(C)C)C
• Title of publication: Generation, Direct Observation, and Kinetics of Triplet 9-(1,1,4,4,5,5,8,8- Octamethyl-1,2,3,4,5,6,7,8-octahydro- anthryl)phenylcarbene
• Authors of publication: Iikubo, Takashi; Hirai, Katsuyuki; Tomioka, Hideo
• Journal of publication: Organic Letters
• Year of publication: 2002
• Journal volume: 4
• Journal issue: 13
• Pages of publication: 2261
• a: 12.237 ± 0.0008 Å
• b: 9.6067 ± 0.0005 Å
• c: 20.3737 ± 0.0009 Å
• α: 90°
• β: 93.534 ± 0.003°
• γ: 90°
• Cell volume: 2390.5 ± 0.2 ų
• Cell temperature: 123.1 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 significantly intense reflections: 0.064
• Weighted residual factors for all reflections included in the refinement: 0.084
• Goodness-of-fit parameter for all reflections included in the refinement: 1.185
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No