Information card for entry 7105747

Structure parameters

• Formula: C23 H26 Br N
• Calculated formula: C23 H26 Br N
• Title of publication: A Pyridinium Cation-I Interaction Sensor for the Fluorescent Detection of Alkyl Halides
• Authors of publication: Wenbo Chen; Souad Elfeky; Yse Nonne; Louise Male; Kabir Ahmed; Claire Amiable; Philip Axe; Shinji Yamada; Tony James; Steven Bull; John Fossey
• Journal of publication: Chem.Commun.
• Year of publication: 2011
• Journal volume: 47
• Pages of publication: 253
• a: 7.3748 ± 0.0002 Å
• b: 10.0622 ± 0.0002 Å
• c: 25.6743 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1905.21 ± 0.09 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0986
• Residual factor for significantly intense reflections: 0.095
• Weighted residual factors for significantly intense reflections: 0.2009
• Weighted residual factors for all reflections included in the refinement: 0.202
• Goodness-of-fit parameter for all reflections included in the refinement: 1.439
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No