Crystallography Open Database

Information card for entry 4038415

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Structure parameters

Formula	C18 H23 N O7
Calculated formula	C18 H23 N O7
SMILES	O([C@@H]1N=C(c2c(O)ccc(O)c2)C[C@@]23CC[C@@H](O)[C@@]12COC3=O)C.OC.O([C@H]1N=C(c2c(O)ccc(O)c2)C[C@]23CC[C@H](O)[C@]12COC3=O)C.OC
Title of publication	Meroapplanins A–E, Five Meroterpenoids with A 2,3,4,5-Tetrahydropyridine Motif from Ganoderma applanatum.
Authors of publication	Peng, Xing-Rong; Shi, Qiangqiang; Yang, Jing; Su, Haiguo; Zhou, Lin; Qiu, Ming-Hua
Journal of publication	The Journal of organic chemistry
Year of publication	2020
a	7.3016 ± 0.0003 Å
b	9.599 ± 0.0003 Å
c	13.3084 ± 0.0005 Å
α	72.04 ± 0.001°
β	82.871 ± 0.001°
γ	71.691 ± 0.001°
Cell volume	842.01 ± 0.05 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0432
Residual factor for significantly intense reflections	0.0431
Weighted residual factors for significantly intense reflections	0.1927
Weighted residual factors for all reflections included in the refinement	0.1929
Goodness-of-fit parameter for all reflections included in the refinement	1.884
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
301828 (current)	2025-08-20	Add cross-references to PubChem compounds in COD range 4/03/ Each referenced PubChem compound corresponds to the full crystal structure.	4038415.cif
252399	2020-05-28	cif/ Adding structures of 4038415 via cif-deposit CGI script.	4038415.cif