Crystallography Open Database

Information card for entry 7243773

Preview

Coordinates	7243773.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H22 F N3 O2 S
Calculated formula	C24 H22 F N3 O2 S
Title of publication	Relationship between crystal shape and unit cell shape: crystal shape modification via co-crystallization toward SXRD-suitable crystals
Authors of publication	Okayasu, Misaki; Kikkawa, Shoko; Hikawa, Hidemasa; Azumaya, Isao
Journal of publication	CrystEngComm
Year of publication	2021
Journal volume	23
Journal issue	44
Pages of publication	7760 - 7770
a	10.0096 ± 0.0003 Å
b	12.4631 ± 0.0006 Å
c	17.7972 ± 0.0007 Å
α	80.489 ± 0.004°
β	73.938 ± 0.003°
γ	87.66 ± 0.003°
Cell volume	2104.19 ± 0.15 Å³
Cell temperature	93 K
Ambient diffraction temperature	93 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.115
Residual factor for significantly intense reflections	0.0951
Weighted residual factors for significantly intense reflections	0.2732
Weighted residual factors for all reflections included in the refinement	0.2847
Goodness-of-fit parameter for all reflections included in the refinement	1.052
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7243773.html