Crystallography Open Database

Information card for entry 7247826

Preview

Coordinates	7247826.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H35 Cd N8 O14 P
Calculated formula	C27 H35 Cd N8 O14 P
Title of publication	Mimic uracil–uracil base pairing: self-assembly and single crystal structure
Authors of publication	Zhang, Menglei; Li, Zhongkui; Zhu, Yanhong; Yan, Li; Zhong, Xue; Zhang, Yijie; Li, Ziyao; Bai, Yixiang; Li, Hui
Journal of publication	CrystEngComm
Year of publication	2024
Journal volume	26
Journal issue	3
Pages of publication	261 - 267
a	10.7744 ± 0.0004 Å
b	25.5061 ± 0.0011 Å
c	31.6431 ± 0.0012 Å
α	90°
β	90°
γ	90°
Cell volume	8695.9 ± 0.6 Å³
Cell temperature	296.15 K
Ambient diffraction temperature	296.15 K
Number of distinct elements	6
Space group number	20
Hermann-Mauguin space group symbol	C 2 2 21
Hall space group symbol	C 2c 2
Residual factor for all reflections	0.0601
Residual factor for significantly intense reflections	0.0407
Weighted residual factors for significantly intense reflections	0.0922
Weighted residual factors for all reflections included in the refinement	0.0994
Goodness-of-fit parameter for all reflections included in the refinement	1.032
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
289457 (current)	2024-02-04	cif/ Updating files of 7247822, 7247823, 7247824, 7247825, 7247826 Original log message: Adding full bibliography for 7247822--7247826.cif.	7247826.cif
288022	2023-12-05	cif/ Adding structures of 7247822, 7247823, 7247824, 7247825, 7247826 via cif-deposit CGI script.	7247826.cif