Crystallography Open Database

Information card for entry 1570919

Preview

Coordinates	1570919.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Ac-B
Formula	C24 H20 O11
Calculated formula	C24 H20 O11
Title of publication	Synthetic Studies toward 5,6,7,3',4'-Monomethoxytetrahydroxyflavones: Synthesis of Pedalitin.
Authors of publication	Kamma, Koteswara Rao; Cho, Joungmo; Won, Hyo Jun; Nam, So-Yeon; Le, Ngan Hong; Jung, Je Hyeong; Lee, Kee-In
Journal of publication	Molecules (Basel, Switzerland)
Year of publication	2024
Journal volume	29
Journal issue	2
Pages of publication	513
a	8.9444 ± 0.0001 Å
b	10.971 ± 0.0002 Å
c	13.8699 ± 0.0002 Å
α	108.253 ± 0.002°
β	93.627 ± 0.001°
γ	112.862 ± 0.002°
Cell volume	1164.11 ± 0.04 Å³
Cell temperature	298 K
Ambient diffraction temperature	298 K
Number of distinct elements	3
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.063
Residual factor for significantly intense reflections	0.0543
Weighted residual factors for significantly intense reflections	0.1661
Weighted residual factors for all reflections included in the refinement	0.1754
Goodness-of-fit parameter for all reflections included in the refinement	1.076
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
289673 (current)	2024-02-05	cif/ Adding structures of 1570919 via cif-deposit CGI script.	1570919.cif