Information card for entry 1559169

Structure parameters

• Formula: C26 H28 N2 O2 Si
• Calculated formula: C26 H28 N2 O2 Si
• SMILES: C1(=O)c2ccccc2C2(c3ccc(cc3[Si](c3c2ccc(c3)N(C)C)(C)C)N(C)C)O1
• Title of publication: A cytosolically localized far-red to near-infrared rhodamine-based fluorescent probe for calcium ions.
• Authors of publication: Numasawa, Koji; Hanaoka, Kenjiro; Ikeno, Takayuki; Echizen, Honami; Ishikawa, Tomoe; Morimoto, Masakazu; Komatsu, Toru; Ueno, Tasuku; Ikegaya, Yuji; Nagano, Tetsuo; Urano, Yasuteru
• Journal of publication: The Analyst
• Year of publication: 2020
• Journal volume: 145
• Journal issue: 23
• Pages of publication: 7736 - 7740
• a: 7.5919 ± 0.0002 Å
• b: 32.0914 ± 0.0006 Å
• c: 21.403 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5214.5 ± 0.2 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0598
• Residual factor for significantly intense reflections: 0.0591
• Weighted residual factors for significantly intense reflections: 0.1614
• Weighted residual factors for all reflections included in the refinement: 0.1621
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 1.54178 Å
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No