Crystallography Open Database

Information card for entry 1507802

Preview

Structure parameters

Formula	C25 H37 N O5
Calculated formula	C25 H37 N O5
SMILES	O1[C@](OC)(CC)CC[C@@]2([C@@]34C[C@@H](C(=O)OCC)[C@@H]5C3=C(C(=O)C5)CC[C@@H]2CN(C4)C)C1
Title of publication	Daphmacromines A-J, Alkaloids from Daphniphyllum macropodum.
Authors of publication	Cao, Mingming; Zhang, Yu; He, Hongping; Li, Shifei; Huang, Shengdian; Chen, Duozhi; Tang, Guihua; Li, Shunlin; Di, Yingtong; Hao, Xiaojiang
Journal of publication	Journal of natural products
Year of publication	2012
Journal volume	75
Journal issue	6
Pages of publication	1076 - 1082
a	14.3257 ± 0.0004 Å
b	14.3257 ± 0.0004 Å
c	11.4299 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	2345.71 ± 0.11 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	76
Hermann-Mauguin space group symbol	P 41
Hall space group symbol	P 4w
Residual factor for all reflections	0.0384
Residual factor for significantly intense reflections	0.0382
Weighted residual factors for significantly intense reflections	0.1038
Weighted residual factors for all reflections included in the refinement	0.104
Goodness-of-fit parameter for all reflections included in the refinement	1.047
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
201954 (current)	2017-10-13	cif/ Marking COD entries in range 1 that are known to be related to ChemSpider entries using the _cod_related_entry data loop.	1507802.cif
176729	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1507802.cif
91932	2013-12-28	cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs.	1507802.cif
62294	2012-07-07	cif/ Adding structures of 1507802 via cif-deposit CGI script.	1507802.cif