Crystallography Open Database

Information card for entry 7217796

Preview

Coordinates	7217796.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H29 N3 O3
Calculated formula	C27 H29 N3 O3
Title of publication	A novel fluorescent pH probe with valuable pKabased on a twisted intramolecular charge transfer mechanism, and its applications in cell imaging
Authors of publication	Yu, Fang; Wang, Yan; Zhu, Wencheng; Huang, Yan; Yang, Minghui; Ai, Hua; Lu, Zhiyun
Journal of publication	RSC Advances
Year of publication	2014
Journal volume	4
Journal issue	69
Pages of publication	36849
a	6.6657 ± 0.0012 Å
b	8.9418 ± 0.0016 Å
c	19.201 ± 0.004 Å
α	87.395 ± 0.003°
β	87.173 ± 0.004°
γ	88.605 ± 0.004°
Cell volume	1141.6 ± 0.4 Å³
Cell temperature	140 ± 2 K
Ambient diffraction temperature	140 ± 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	0.1325
Residual factor for significantly intense reflections	0.0703
Weighted residual factors for significantly intense reflections	0.1944
Weighted residual factors for all reflections included in the refinement	0.2464
Goodness-of-fit parameter for all reflections included in the refinement	1.071
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
180508 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/77.	7217796.cif
122297	2014-08-21	cif/ Adding structures of 7217796 via cif-deposit CGI script.	7217796.cif