Crystallography Open Database

Information card for entry 1571304

Preview

Coordinates	1571304.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C11 H10 N O
Calculated formula	C10 H12.6667 N0.666667 O1.33333
Title of publication	Hypocretenolides: collective total syntheses and activities toward metastatic colon cancer.
Authors of publication	Chen, Bolin; Zhang, Xijing; Yang, Yufen; Xu, Dongdong; Wu, Qianwei; Wang, Shibo; Bao, Shiqi; Zhang, Xuemei; Ding, Yahui; Wang, Liang; Chen, Yue
Journal of publication	Chemical science
Year of publication	2024
Journal volume	15
Journal issue	17
Pages of publication	6397 - 6401
a	8.5784 ± 0.0007 Å
b	8.7025 ± 0.0004 Å
c	9.1689 ± 0.0005 Å
α	101.163 ± 0.004°
β	92.706 ± 0.006°
γ	105.082 ± 0.005°
Cell volume	644.96 ± 0.07 Å³
Cell temperature	301.17 ± 0.1 K
Ambient diffraction temperature	301.17 ± 0.1 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	0.0615
Residual factor for significantly intense reflections	0.0517
Weighted residual factors for significantly intense reflections	0.1588
Weighted residual factors for all reflections included in the refinement	0.1668
Goodness-of-fit parameter for all reflections included in the refinement	0.908
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
291560 (current)	2024-05-05	cif/ Updating files of 1571303, 1571304 Original log message: Adding full bibliography for 1571303--1571304.cif.	1571304.cif
290697	2024-03-29	cif/ Adding structures of 1571303, 1571304 via cif-deposit CGI script.	1571304.cif