Crystallography Open Database

Information card for entry 2100765

Preview

Coordinates	2100765.cif
Original IUCr paper	HTML

Structure parameters

Formula	C17 H27 N O3
Calculated formula	C17 H27 N O3
SMILES	O[C@H]1[C@H](CCCCCc2c1cccc2)N1CCOCC1.O.O[C@@H]1[C@@H](CCCCCc2c1cccc2)N1CCOCC1.O
Title of publication	Synthesis and structure of new bronchospasmolytic agents. I
Authors of publication	Ianelli, S.; Nardelli, M.; Belletti, D.; Jamart-Gregoire, B.; Mouaddib, A.; Caubère, P.
Journal of publication	Acta Crystallographica Section B
Year of publication	1992
Journal volume	48
Journal issue	2
Pages of publication	178 - 185
a	10.063 ± 0.009 Å
b	19.398 ± 0.005 Å
c	8.67 ± 0.005 Å
α	90°
β	110.56 ± 0.01°
γ	90°
Cell volume	1584.6 ± 1.7 Å³
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Diffraction radiation wavelength	0.7093 Å
Diffraction radiation type	Mo
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

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