Crystallography Open Database

Information card for entry 7201674

7201673 << 7201674 >> 7201675

Preview

Coordinates	7201674.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	10,11-Dihydro-5H-dibenzo(a,d)cycloheptene-5-carboxamide
Chemical name	10,11-Dihydro-5H-dibenzo[a,d]cycloheptene-5-carboxamide
Formula	C16 H15 N O
Calculated formula	C16 H15 N O
SMILES	O=C(N)C1c2ccccc2CCc2ccccc12
Title of publication	A catemer-to-dimer structural transformation in cyheptamide
Authors of publication	Florence, A. J.; Shankland, K.; Gelbrich, T.; Hursthouse, M. B.; Shankland, N.; Johnston, A.; Fernandes, P.; Leech, C. K.
Journal of publication	CrystEngComm
Year of publication	2008
Journal volume	10
Journal issue	1
Pages of publication	26
a	5.6491 ± 0.0001 Å
b	19.5639 ± 0.0004 Å
c	22.0741 ± 0.0005 Å
α	84.2178 ± 0.0013°
β	88.4073 ± 0.0014°
γ	83.6001 ± 0.0013°
Cell volume	2411.72 ± 0.09 Å³
Ambient diffraction temperature	100 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Goodness-of-fit parameter for all reflections	2.05
Method of determination	powder diffraction
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
180347 (current)	2016-03-26	cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/16.	7201674.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7201674.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7201674.cif
1173	2010-05-16	cif/7/: adding data from Dalton-Trans-2008, New-J-Chem-2008, Org-Biomol-Chem-2008 and RSC-2008 processing.	7201674.cif