Crystallography Open Database

Information card for entry 7160164

Preview

Coordinates	7160164.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H22 O4
Calculated formula	C29 H22 O4
Title of publication	Synthesis and structural confirmation of selaginpulvilin X.
Authors of publication	Havlíková, Tereza; Nallappan, Sundaravelu; Císařová, Ivana; Rycek, Lukas
Journal of publication	Organic & biomolecular chemistry
Year of publication	2024
Journal volume	22
Journal issue	45
Pages of publication	8843 - 8846
a	9.4717 ± 0.0005 Å
b	12.7788 ± 0.0007 Å
c	18.5575 ± 0.001 Å
α	90°
β	100.343 ± 0.002°
γ	90°
Cell volume	2209.6 ± 0.2 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	3
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.033
Residual factor for significantly intense reflections	0.0317
Weighted residual factors for significantly intense reflections	0.0796
Weighted residual factors for all reflections included in the refinement	0.0808
Goodness-of-fit parameter for all reflections included in the refinement	1.042
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
296703 (current)	2024-12-06	cif/ Updating files of 7160164 Original log message: Adding full bibliography for 7160164.cif.	7160164.cif
294999	2024-10-03	cif/ Adding structures of 7160164 via cif-deposit CGI script.	7160164.cif