Crystallography Open Database

Information card for entry 7249622

Preview

Coordinates	7249622.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33.05 H56.45 O2
Calculated formula	C32 H54 O2
Title of publication	Structure features of a supramolecular organic framework self-assembled from a chiral natural compound
Authors of publication	Khotchasanthong, Kenika; Pootaeng-On, Yupa; Rayanil, Kanok-on; Sukwattanasinitt, Mongkol; Laksee, Sakchai; Chainok, Kittipong
Journal of publication	CrystEngComm
Year of publication	2025
Journal volume	27
Journal issue	3
Pages of publication	297 - 301
a	32.329 ± 0.0019 Å
b	32.329 ± 0.0019 Å
c	7.1254 ± 0.0005 Å
α	90°
β	90°
γ	120°
Cell volume	6449.5 ± 0.7 Å³
Cell temperature	296 K
Ambient diffraction temperature	296 K
Number of distinct elements	3
Space group number	172
Hermann-Mauguin space group symbol	P 64
Hall space group symbol	P 64
Residual factor for all reflections	0.0646
Residual factor for significantly intense reflections	0.0426
Weighted residual factors for significantly intense reflections	0.0958
Weighted residual factors for all reflections included in the refinement	0.1042
Goodness-of-fit parameter for all reflections included in the refinement	0.978
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Diffraction radiation X-ray symbol	K-L~3~
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
298221 (current)	2025-03-04	cif/ Updating files of 7249622 Original log message: Adding full bibliography for 7249622.cif.	7249622.cif
296028	2024-11-21	cif/ Adding structures of 7249622 via cif-deposit CGI script.	7249622.cif