Crystallography Open Database

Information card for entry 2023474

2023473 << 2023474 >> 2023475

Preview

Coordinates	2023474.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	4-Methoxy-6-methyl-1-(3-methylbut-2-en-1-yl)-6-(4-methylpent-3-en-1-yl)bicyclo[3.3.1]non-3-ene-2,9-dione
Formula	C22 H32 O3
Calculated formula	C22 H32 O3
Title of publication	Synthesis and crystal structure analysis of substituted bi-cyclo-[3.3.1]nona-nones.
Authors of publication	König, Julien A; Morgenstern, Bernd; Jauch, Johann
Journal of publication	Acta crystallographica. Section E, Crystallographic communications
Year of publication	2025
Journal volume	81
Journal issue	Pt 5
Pages of publication	405 - 411
a	14.1871 ± 0.0006 Å
b	6.3306 ± 0.0002 Å
c	22.4159 ± 0.0008 Å
α	90°
β	101.702 ± 0.001°
γ	90°
Cell volume	1971.39 ± 0.13 Å³
Cell temperature	133 ± 2 K
Ambient diffraction temperature	133 ± 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	0.0685
Residual factor for significantly intense reflections	0.0455
Weighted residual factors for significantly intense reflections	0.1024
Weighted residual factors for all reflections included in the refinement	0.1159
Goodness-of-fit parameter for all reflections included in the refinement	1.05
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
299926 (current)	2025-06-03	cif/ Updating files of 2023472, 2023473, 2023474, 2023475 Original log message: Adding full bibliography for 2023472--2023475.cif.	2023474.cif
299328	2025-04-18	cif/ Adding structures of 2023472, 2023473, 2023474, 2023475 via cif-deposit CGI script.	2023474.cif