Crystallography Open Database

Information card for entry 4132265

Preview

Coordinates	4132265.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H38 O5
Calculated formula	C24 H38 O5
SMILES	O[C@@H]1[C@H]2O[C@@H]3[C@H](C2)CC[C@]2(O)[C@@H](C3=C1)CC[C@@]1(C)[C@H]2CC[C@@H]1[C@H](C)C(OC)OC
Title of publication	Asymmetric Total Synthesis of Cyclocitrinol.
Authors of publication	Liu, Junyang; Wu, Jianlei; Fan, Jian-Hong; Yan, Xin; Mei, Guangjian; Li, Chuang-Chuang
Journal of publication	Journal of the American Chemical Society
Year of publication	2018
Journal volume	140
Journal issue	16
Pages of publication	5365 - 5369
a	6.4359 ± 0.0002 Å
b	25.5852 ± 0.0006 Å
c	7.0724 ± 0.0002 Å
α	90°
β	107.905 ± 0.0012°
γ	90°
Cell volume	1108.17 ± 0.05 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	3
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0395
Residual factor for significantly intense reflections	0.0369
Weighted residual factors for significantly intense reflections	0.1041
Weighted residual factors for all reflections included in the refinement	0.1106
Goodness-of-fit parameter for all reflections included in the refinement	1.063
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
242261 (current)	2019-11-26	cif/ Adding structures of 4132265 via cif-deposit CGI script.	4132265.cif