Crystallography Open Database

Information card for entry 7242499

Preview

Coordinates	7242499.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C112.5 H93 Cl5 I12 N24 O8 Zn6
Calculated formula	C112.5 H93 Cl5 I12 N24 O8 Zn6
Title of publication	Catalytic enantioselective intramolecular Tishchenko reaction of meso-dialdehyde: synthesis of (S)-cedarmycins
Authors of publication	Ismiyarto,; Kishi, Nobuki; Adachi, Yuki; Jiang, Rui; Doi, Takahiro; Zhou, Da-Yang; Asano, Kaori; Obora, Yasushi; Suzuki, Takayoshi; Sasai, Hiroaki; Suzuki, Takeyuki
Journal of publication	RSC Advances
Year of publication	2021
Journal volume	11
Journal issue	19
Pages of publication	11606 - 11609
a	34.9669 ± 0.0003 Å
b	14.8136 ± 0.0001 Å
c	30.7587 ± 0.0002 Å
α	90°
β	101.597 ± 0.001°
γ	90°
Cell volume	15607.3 ± 0.2 Å³
Cell temperature	100.15 K
Ambient diffraction temperature	100 K
Number of distinct elements	7
Space group number	13
Hermann-Mauguin space group symbol	P 1 2/c 1
Hall space group symbol	-P 2yc
Residual factor for all reflections	0.0976
Residual factor for significantly intense reflections	0.0884
Weighted residual factors for significantly intense reflections	0.2857
Weighted residual factors for all reflections included in the refinement	0.3029
Goodness-of-fit parameter for all reflections included in the refinement	1.225
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
263233 (current)	2021-03-23	cif/ Adding structures of 7242499, 7242500 via cif-deposit CGI script.	7242499.cif