Crystallography Open Database

Information card for entry 7134235

Preview

Coordinates	7134235.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H25 N O5
Calculated formula	C25 H25 N O5
Title of publication	Phenotype-directed discovery of diverse, biologically-relevant molecular scaffolds.
Authors of publication	Griggs, Samuel D.; Piticari, Amalia-Sofia; Liver, Samuel; Arter, Chris; Sievers, Sonja; Marsden, Stephen P.; Nelson, Adam
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2025
Journal volume	61
Journal issue	17
Pages of publication	3528 - 3531
a	13.806 ± 0.0004 Å
b	8.8682 ± 0.0003 Å
c	18.6122 ± 0.0005 Å
α	90°
β	108.601 ± 0.003°
γ	90°
Cell volume	2159.74 ± 0.12 Å³
Cell temperature	120.01 ± 0.18 K
Ambient diffraction temperature	120.01 ± 0.18 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0689
Residual factor for significantly intense reflections	0.0501
Weighted residual factors for significantly intense reflections	0.1183
Weighted residual factors for all reflections included in the refinement	0.1295
Goodness-of-fit parameter for all reflections included in the refinement	1.026
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
298014 (current)	2025-03-04	cif/ Updating files of 7134234, 7134235, 7134236 Original log message: Adding full bibliography for 7134234--7134236.cif.	7134235.cif
297601	2025-02-06	cif/ Adding structures of 7134234, 7134235, 7134236 via cif-deposit CGI script.	7134235.cif