Crystallography Open Database

Information card for entry 7111631

Preview

Coordinates	7111631.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H38 N2 O
Calculated formula	C48 H38 N2 O
SMILES	c12cccc3c2c2c(cccc2C2(C43c3ccccc3N(c3ccccc43)C)c3ccccc3N(c3ccccc23)C)COC1.c1ccccc1
Title of publication	Drastic change in racemization barrier upon redox reactions: novel chiral-memory units based on dynamic redox systems
Authors of publication	Suzuki, Takanori; Wada, Kazuhisa; Ishigaki, Yusuke; Yoshimoto, Yasuyo; Ohta, Eisuke; Kawai, Hidetoshi; Fujiwara, Kenshu
Journal of publication	Chemical Communications
Year of publication	2010
Journal volume	46
Journal issue	23
Pages of publication	4100 - 4102
a	23.56 ± 0.004 Å
b	11.9 ± 0.002 Å
c	13.927 ± 0.002 Å
α	90 ± 0.0004°
β	120.231 ± 0.0005°
γ	90 ± 0.0004°
Cell volume	3373.6 ± 0.9 Å³
Cell temperature	150.1 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for significantly intense reflections	0.0468
Weighted residual factors for all reflections included in the refinement	0.1401
Goodness-of-fit parameter for all reflections included in the refinement	1.8
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7111631.cif
96711	2014-01-29	cif/ Adding structures of 7111629, 7111630, 7111631 via cif-deposit CGI script.	7111631.cif