Crystallography Open Database

Information card for entry 1570918

Preview

Coordinates	1570918.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Bat-intermediate-down
Formula	C19 H18 O8
Calculated formula	C19 H18 O8
SMILES	O1C(=C(C(=O)c2c(c(c(cc12)OC)OC)OC)O)c1cc(c(cc1)O)OC
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	8.2312 ± 0.0019 Å
b	16.306 ± 0.003 Å
c	12.099 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	1623.9 ± 0.6 Å³
Cell temperature	100 ± 1 K
Ambient diffraction temperature	100 ± 1 K
Number of distinct elements	3
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.0552
Residual factor for significantly intense reflections	0.0492
Weighted residual factors for significantly intense reflections	0.1038
Weighted residual factors for all reflections included in the refinement	0.1065
Goodness-of-fit parameter for all reflections included in the refinement	1.087
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKa
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
289672 (current)	2024-02-05	cif/ Adding structures of 1570918 via cif-deposit CGI script.	1570918.cif