Information card for entry 4512951

Structure parameters

• Formula: C20 H30 I6 N4
• Calculated formula: C20 H30 I6 N4
• SMILES: c1(cc(ccc1)C[N+](C)(C)C)/N=N/c1cc(ccc1)C[N+](C)(C)C.[I-](I)I.[I-](I)I
• Title of publication: AzoCholine Enables Optical Control of Alpha 7 Nicotinic Acetylcholine Receptors in Neural Networks.
• Authors of publication: Damijonaitis, Arunas; Broichhagen, Johannes; Urushima, Tatsuya; Hüll, Katharina; Nagpal, Jatin; Laprell, Laura; Schönberger, Matthias; Woodmansee, David H.; Rafiq, Amir; Sumser, Martin P.; Kummer, Wolfgang; Gottschalk, Alexander; Trauner, Dirk
• Journal of publication: ACS chemical neuroscience
• Year of publication: 2015
• Journal volume: 6
• Journal issue: 5
• Pages of publication: 701 - 707
• a: 8.6169 ± 0.0005 Å
• b: 21.6556 ± 0.0011 Å
• c: 9.0042 ± 0.0005 Å
• α: 90°
• β: 114.328 ± 0.0015°
• γ: 90°
• Cell volume: 1531.02 ± 0.15 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0397
• Residual factor for significantly intense reflections: 0.0281
• Weighted residual factors for significantly intense reflections: 0.0655
• Weighted residual factors for all reflections included in the refinement: 0.0699
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No