Crystallography Open Database

Information card for entry 1550837

Preview

Coordinates	1550837.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H40 N4 O2
Calculated formula	C32 H40 N4 O2
SMILES	c12cc(ccc1C1(c3ccc(cc3O2)N(CC)CC)c2cccc(c2C(=O)N1CCCC)N)N(CC)CC
Title of publication	A H-Bond Strategy to Develop Acid-Resistant Photoswitchable Rhodamine Spirolactams for Super-Resolution Single-Molecule Localization Microscopy
Authors of publication	Qi, Qingkai; Chi, Weijie; Li, Yuanyuan; Qiao, Qinglong; Chen, Jie; Miao, Lu; Zhang, Yi; Li, Jin; Ji, Wei; Xu, Tao; Liu, Xiaogang; Yoon, Juyoung; Xu, Zhaochao
Journal of publication	Chemical Science
Year of publication	2019
a	10.1957 ± 0.0004 Å
b	12.2494 ± 0.0005 Å
c	23.2226 ± 0.001 Å
α	92.193 ± 0.003°
β	93.573 ± 0.003°
γ	106.021 ± 0.003°
Cell volume	2777.6 ± 0.2 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 2 K
Number of distinct elements	4
Space group number	1
Hermann-Mauguin space group symbol	P 1
Hall space group symbol	P 1
Residual factor for all reflections	0.0849
Residual factor for significantly intense reflections	0.0735
Weighted residual factors for significantly intense reflections	0.1941
Weighted residual factors for all reflections included in the refinement	0.2046
Goodness-of-fit parameter for all reflections included in the refinement	1.057
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
214492 (current)	2019-04-05	cif/ Adding structures of 1550837, 1550838, 1550839, 1550840 via cif-deposit CGI script.	1550837.cif