Crystallography Open Database

Information card for entry 1513102

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Coordinates	1513102.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	1-formamido-abeo-pupukeanane
Formula	C16 H27 N O
Calculated formula	C16 H27 N O
SMILES	N(C=O)[C@@]1([C@@H]2[C@@]3([C@@H]([C@H](C2)[C@@H](C3)C(C)C)CC1)C)C
Title of publication	Bridged Tricyclic Sesquiterpenes from the Tubercle Nudibranch Phyllidia coelestis Bergh.
Authors of publication	Jaisamut, Sunan; Prabpai, Samran; Tancharoen, Chompoonuch; Yuenyongsawad, Supreeya; Hannongbua, Supa; Kongsaeree, Palangpon; Plubrukarn, Anuchit
Journal of publication	Journal of natural products
Year of publication	2013
Journal volume	76
Journal issue	11
Pages of publication	2158 - 2161
a	7.0316 ± 0.0002 Å
b	9.5125 ± 0.0004 Å
c	21.7347 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	1453.79 ± 0.09 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	4
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0533
Residual factor for significantly intense reflections	0.0457
Weighted residual factors for significantly intense reflections	0.1062
Weighted residual factors for all reflections included in the refinement	0.1111
Goodness-of-fit parameter for all reflections included in the refinement	1.023
Diffraction radiation probe	x-ray
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
176729 (current)	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.	1513102.cif
91698	2013-12-13	cif/ Adding structures of 1513102 via cif-deposit CGI script.	1513102.cif