Crystallography Open Database

Information card for entry 1555129

Preview

Coordinates	1555129.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H30 O4
Calculated formula	C15 H30 O4
SMILES	O1C([C@@H](O)CC[C@@]1([C@H]1[C@@H]([C@](O)(CC1)C)C)C)(C)C.O
Title of publication	Nitrogenous cyclonerane sesquiterpenes from an algicolous strain of Trichoderma asperellum
Authors of publication	Song, Yin-Ping; Miao, Feng-Ping; Yin, Xiu-Li; Ji, Nai-Yun
Journal of publication	Organic Chemistry Frontiers
Year of publication	2019
Journal volume	6
Journal issue	21
Pages of publication	3698
a	7.0302 ± 0.0007 Å
b	7.6119 ± 0.0008 Å
c	7.7844 ± 0.0009 Å
α	94.191 ± 0.009°
β	109.731 ± 0.01°
γ	97.56 ± 0.009°
Cell volume	385.61 ± 0.08 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	3
Space group number	1
Hermann-Mauguin space group symbol	P 1
Hall space group symbol	P 1
Residual factor for all reflections	0.0322
Residual factor for significantly intense reflections	0.0315
Weighted residual factors for significantly intense reflections	0.0858
Weighted residual factors for all reflections included in the refinement	0.0865
Goodness-of-fit parameter for all reflections included in the refinement	1.092
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
300101 (current)	2025-06-17	cif/1: Fixing Z values and formulae	1555129.cif
238340	2019-11-24	cif/ Adding structures of 1555129 via cif-deposit CGI script.	1555129.cif