Crystallography Open Database

Information card for entry 7242500

Preview

Coordinates	7242500.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H18 O4
Calculated formula	C19 H18 O4
SMILES	O1C(OC[C@@H]2[C@H](C1)COC2=O)(c1ccccc1)c1ccccc1
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	8.91118 ± 0.00016 Å
b	11.0174 ± 0.0002 Å
c	15.8907 ± 0.0011 Å
α	90°
β	90°
γ	90°
Cell volume	1560.12 ± 0.12 Å³
Cell temperature	123 K
Ambient diffraction temperature	123 K
Number of distinct elements	3
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0342
Residual factor for significantly intense reflections	0.0319
Weighted residual factors for significantly intense reflections	0.0698
Weighted residual factors for all reflections included in the refinement	0.0707
Goodness-of-fit parameter for all reflections included in the refinement	1.09
Diffraction radiation wavelength	1.54187 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
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.	7242500.cif