Crystallography Open Database

Information card for entry 1574043

Preview

Coordinates	1574043.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	orthorhombic
Formula	C31 H48 O4
Calculated formula	C31 H48 O4
Title of publication	Biomimetic syntheses of kadcoccitane H and kadcotrione C methyl ester.
Authors of publication	Dethe, Dattatraya H.; Siddiqui, Salman A.; Singha, Chirantan
Journal of publication	Chemical science
Year of publication	2025
Journal volume	16
Journal issue	14
Pages of publication	6099 - 6103
a	7.5983 ± 0.0002 Å
b	14.6061 ± 0.0003 Å
c	25.287 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	2806.39 ± 0.11 Å³
Cell temperature	296.15 K
Ambient diffraction temperature	296.15 K
Number of distinct elements	3
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0518
Residual factor for significantly intense reflections	0.0457
Weighted residual factors for significantly intense reflections	0.1201
Weighted residual factors for all reflections included in the refinement	0.124
Goodness-of-fit parameter for all reflections included in the refinement	1.0373
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
298827 (current)	2025-04-05	cif/ Updating files of 1574043 Original log message: Adding full bibliography for 1574043.cif.	1574043.cif
297943	2025-03-04	cif/ Adding structures of 1574043 via cif-deposit CGI script.	1574043.cif