Information card for entry 4512950

Structure parameters

• Formula: C17 H22 I N3 O
• Calculated formula: C17 H22 I N3 O
• 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: 5.9981 ± 0.0004 Å
• b: 7.7485 ± 0.0005 Å
• c: 19.4519 ± 0.0013 Å
• α: 90°
• β: 93.6786 ± 0.0018°
• γ: 90°
• Cell volume: 902.19 ± 0.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0621
• Residual factor for significantly intense reflections: 0.0424
• Weighted residual factors for significantly intense reflections: 0.0941
• Weighted residual factors for all reflections included in the refinement: 0.1026
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No