Crystallography Open Database

Information card for entry 1507434

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Structure parameters

Formula	C22 H27 N O4
Calculated formula	C22 H26 N O4
SMILES	O1[C@@H]2N(c3c([C@]2(O)CC1)cccc3)C[C@@]1(C(=O)C(=C(C1=O)C)CCCC)C
Title of publication	Short Total Synthesis of (+)-Madindolines A and B
Authors of publication	Hirose, Tomoyasu; Sunazuka, Toshiaki; Shirahata, Tatsuya; Yamamoto, Daisuke; Harigaya, Yoshihiro; Kuwajima, Isao; Ōmura, Satoshi
Journal of publication	Organic Letters
Year of publication	2002
Journal volume	4
Journal issue	4
Pages of publication	501
a	7.639 ± 0.004 Å
b	9.002 ± 0.004 Å
c	14.719 ± 0.003 Å
α	90°
β	91.3 ± 0.02°
γ	90°
Cell volume	1011.9 ± 0.7 Å³
Cell temperature	296.2 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for significantly intense reflections	0.0981
Weighted residual factors for all reflections included in the refinement	0.1207
Goodness-of-fit parameter for all reflections included in the refinement	4.573
Diffraction radiation wavelength	1.5418 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.	1507434.cif
176435	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2.	1507434.cif
91932	2013-12-28	cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs.	1507434.cif
53961	2012-04-20	cif/ Adding structures of 1507434 via cif-deposit CGI script.	1507434.cif