Information card for entry 4103770

Structure parameters

• Formula: C18 H24 N2 O2
• Calculated formula: C18 H24 N2 O2
• SMILES: c1(ccc(cc1)/C=C1/C(=O)N(C(=N1)C)C)OCCCCCC
• Title of publication: Activation and Tuning of Green Fluorescent Protein Chromophore Emission by Alkyl Substituent-Mediated Crystal Packing
• Authors of publication: Jian Dong; Kyril M. Solntsev; Laren M. Tolbert
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2009
• Journal volume: 131
• Pages of publication: 662 - 670
• a: 7.4623 ± 0.0005 Å
• b: 10.0972 ± 0.0006 Å
• c: 11.7537 ± 0.0008 Å
• α: 88.216 ± 0.003°
• β: 79.002 ± 0.002°
• γ: 71.188 ± 0.002°
• Cell volume: 822.48 ± 0.09 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0396
• Residual factor for significantly intense reflections: 0.0353
• Weighted residual factors for significantly intense reflections: 0.1029
• Weighted residual factors for all reflections included in the refinement: 0.1077
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No