Crystallography Open Database

Information card for entry 7245035

Preview

Coordinates	7245035.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H26 O2
Calculated formula	C15 H26 O2
SMILES	[C@H]1(/C(=C/CC[C@@]([C@@H]2C[C@H]2C(C1)(C)C)(C)O)C)O
Title of publication	Total syntheses of ent-hypocoprin A and ent-hypocoprin B
Authors of publication	Ota, Koichiro; Watanabe, Taiki; Igarashi, Shuntaro; Okazaki, Shinnosuke; Kamaike, Kazuo; Miyaoka, Hiroaki
Journal of publication	RSC Advances
Year of publication	2022
Journal volume	12
Journal issue	26
Pages of publication	16576 - 16580
a	30.947 ± 0.002 Å
b	30.947 ± 0.002 Å
c	6.2208 ± 0.0007 Å
α	90°
β	90°
γ	120°
Cell volume	5159.6 ± 0.7 Å³
Cell temperature	90 K
Ambient diffraction temperature	90 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	0.109
Residual factor for significantly intense reflections	0.1075
Weighted residual factors for significantly intense reflections	0.2873
Weighted residual factors for all reflections included in the refinement	0.2889
Goodness-of-fit parameter for all reflections included in the refinement	1.063
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	No
Has F_obs	No

Version history

Revision	Date	Message	Files
275851 (current)	2022-06-07	cif/ Adding structures of 7245035 via cif-deposit CGI script.	7245035.cif