Information card for entry 1563412

Structure parameters

• Formula: C22 H27 N3 O3
• Calculated formula: C22 H27 N3 O3
• SMILES: O=C1N(C(=O)c2c3c1ccc(NCCN1CCOCC1)c3ccc2)CCCC
• Title of publication: Strategic engineering of alkyl spacer length for a pH-tolerant lysosome marker and dual organelle localization.
• Authors of publication: Biswas, Suprakash; Dutta, Tanoy; Silswal, Akshay; Bhowal, Rohit; Chopra, Deepak; Koner, Apurba L.
• Journal of publication: Chemical science
• Year of publication: 2021
• Journal volume: 12
• Journal issue: 28
• Pages of publication: 9630 - 9644
• a: 6.9422 ± 0.0009 Å
• b: 18.635 ± 0.002 Å
• c: 29.823 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3858.1 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.1247
• Residual factor for significantly intense reflections: 0.0686
• Weighted residual factors for significantly intense reflections: 0.1574
• Weighted residual factors for all reflections included in the refinement: 0.1931
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No